SCHEMBL979174

SCHEMBL979174

CC(C(=O)N1CCC(c2ccc(Cl)s2)=N1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNK3 O14649 2/20 0.34
PGR P06401 2/20 0.34
GRIN2B Q13224 1/20 0.32
CNR1 P21554 1/20 0.32
MLNR O43193 1/20 0.32
CYP3A4 P08684 1/20 0.32
F10 P00742 1/20 0.32
LMNA P02545 1/20 0.32
PANK3 Q9H999 1/20 0.31
ENPP3 O14638 1/20 0.31
ALPL P05186 1/20 0.31
XIAP P98170 1/20 0.31

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
SCHEMBL979151 0.90 ALDH1A1 (0.44) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL981634 0.72 MEN1 (0.37) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL984592 0.71 MAOB (0.44) MEN1ALDH1A1MAPTKMT2AMAOB
SCHEMBL981510 0.70 PGR (0.47) ALDH1A1MAPTMAOBSMN1; SMN2PGR
SCHEMBL982014 0.70 NPC1 (0.45) ALDH1A1MAPTMAOBSMN1; SMN2
SCHEMBL981635 0.69 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL981256 0.67 ALDH1A1 (0.48) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL981260 0.67 MAOA (0.36) MEN1ALDH1A1KMT2AMAOBCNR1
SCHEMBL979042 0.66 ALDH1A1 (0.55) MEN1ALDH1A1MAPTKMT2AMAOB
SCHEMBL981878 0.65 ALDH1A1 (0.44) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 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 (1 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MEN1 221/4885ALDH1A1 399/4885MAPT 4012/4885

“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.