SCHEMBL1360946

SCHEMBL1360946

[CH2]Cc1cnn(CC)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CYP11B2 P19099 1/20 0.41
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1360737 0.83 HPGD (0.49) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12844151 0.79 HTT (0.44) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1840771 0.79 HTT (0.44) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12775771 0.76 HTT (0.42) HTTHPGDSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL22468806 0.75 HPGD (0.50) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL19385917 0.74
SCHEMBL1360242 0.74
SCHEMBL22480397 0.73 HTT (0.40) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1360243 0.73
SCHEMBL24007450 0.72 HPGD (0.42) HTTHPGDSMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686296-B1 SUBSTITUTED 4-CYAN-3-(2,6-DIFLUOROPHENYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2018-09-26 EP disclosed
EP-2693878-B1 SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2018-06-27 EP disclosed
EP-2934136-B1 SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2018-03-14 EP disclosed
US-9661848-B2 Substituted 4-cyan-3-(pyridyl)-4-phenylbutanoates, method for the production thereof and uses as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2017-05-30 US disclosed
EP-2773614-B1 SUBSTITUTED 4.CYAN-3-(PHENYL-4-(PYRIDIN-3-YL) BUTANOATES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-11-30 EP disclosed
EP-2794568-B1 SUBSTITUTED 4-CYANO-3-PHENYL-4-(PYRIDIN-3-YL) BUTANOATES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
US-20150327546-A1 SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2015-11-19 US disclosed
EP-2934136-A1 SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2015-10-28 EP disclosed
US-9161537-B2 Substituted 4-cyan-3-phenyl-4-(pyridine-3-yl)butanoates, processes for preparation thereof and use thereof as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-20 US disclosed
EP-2373648-A1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2011-10-12 EP disclosed
WO-2011073098-A1 1-(HETEROARYL)-PYRAZOL-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-06-23 WO disclosed
EP-2300458-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience Aktiengesellschaft (DE) 2011-03-30 EP disclosed
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-08-05 US disclosed
US-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 US disclosed
WO-2010063422-A1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-06-10 WO disclosed
WO-2009152995-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-12-23 WO disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 HTT 2488/4885HPGD 854/4885SMN1; SMN2 697/4885
US-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, DDC, HPD HTT 242/4885HPGD 1489/4885SMN1; SMN2 4169/4885
US-20150327546-A1 SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS CBR3, DDT, CYP4B1 HTT 2254/4885HPGD 2260/4885SMN1; SMN2 4629/4885
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS THRA, TSHR, DDT HTT 267/4885HPGD 1633/4885SMN1; SMN2 4604/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.