SCHEMBL981637

SCHEMBL981637

CC(C(=O)N1CCC(c2ccc(Cl)s2)=N1)c1ccc2nsnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.32
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CASP3 P42574 1/20 0.31
BLM P54132 1/20 0.31
CASP6 P55212 1/20 0.31
ATM Q13315 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KDM4E B2RXH2 4/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
THRB P10828 2/20 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 0.83 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL979174 0.82 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL981910 0.80 MAOA (0.35) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL984592 0.80 MAOB (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL982252 0.78 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL981634 0.69 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL981020 0.66 NPC1 (0.42) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL981635 0.65 MEN1 (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17004382 0.65 ECE2 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL982014 0.64 NPC1 (0.45) ALDH1A1MAPTSMN1; SMN2POLBKDM4E

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 10 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
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
WO-2007019933-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-22 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 (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 ALDH1A1 399/4885MAPT 4012/4885MEN1 221/4885

“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.