SCHEMBL1680202

SCHEMBL1680202

CC(=O)c1nnc(-c2cccnc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
HSD17B10 Q99714 6/20 0.56
TSHR P16473 3/20 0.54
NPC1 O15118 3/20 0.51
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
MAPT P10636 1/20 0.48
S1PR1 P21453 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL27768803 0.89 KDM4E (0.58) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL12571309 0.87 KDM4E (0.57) RAB9AALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL12725592 0.86 KDM4E (0.55) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL18195379 0.85 ALDH1A1 (0.54) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL18265428 0.85 CYP1A2 (0.61) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL1638860 0.85 HSD17B10 (0.61) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL1423771 0.84 KDM4E (0.54) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL14343131 0.83 KDM4E (0.53) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL14343132 0.83 KDM4E (0.53) RAB9AALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL1638585 0.82 CDC7 (0.56) RAB9AALDH1A1KDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586311-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-12-14 EP disclosed
EP-2586311-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-12-14 EP disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
EP-2583557-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
EP-2583557-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
US-9060519-B2 Insecticidally active pyridyl-thiazole and pyridyl-thiadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2015-06-23 US disclosed
EP-2726481-B1 INSECTICIDALLY ACTIVE PYRIDYL-THIAZOLE AND PYRIDYL-THIADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-01-21 EP disclosed
US-20140336186-A1 Heterocyclic Compounds as Pesticides BAYER CORPSCIENCE AG (DE) 2014-11-13 US disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
WO-2013000931-A1 INSECTICIDALLY ACTIVE PYRIDYL-THIAZOLE AND PYRIDYL-THIADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-03 WO disclosed
EP-2540718-A1 Novel insecticides Syngenta Participations AG. (CH) 2013-01-02 EP disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
EP-2309857-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-04-20 EP disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 WO disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 WO 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 (2 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-20110212949-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS RAB9A 1025/4885ALDH1A1 1709/4885KDM4E 1877/4885
US-20140336186-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS RAB9A 1025/4885ALDH1A1 1709/4885KDM4E 1877/4885

“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.