SCHEMBL982252

SCHEMBL982252

O=C(Cc1ccc2nsnc2c1)N1CCC(c2ccc(Cl)s2)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
F10 P00742 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ECE2 P0DPD6 1/20 0.35
GRIN2B Q13224 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
MET P08581 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 3/20 0.32
THRB P10828 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL17004382 0.88 ECE2 (0.50) ALDH1A1MEN1MAPTKMT2AF10
SCHEMBL979274 0.83 KMT2A (0.45) ALDH1A1MEN1MAPTKMT2AF10
SCHEMBL980254 0.83 PGR (0.46) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL981256 0.82 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4628246 0.82 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AF10
SCHEMBL982599 0.81 MEN1 (0.47) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12922914 0.81 F10 (0.47) ALDH1A1MEN1MAPTKMT2AF10
SCHEMBL980161 0.81 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL984420 0.81 HCRTR1 (0.45) ALDH1A1MAPTSMN1; SMN2ECE2RAB9A
SCHEMBL979452 0.80 PGR (0.41) ALDH1A1MEN1MAPTKMT2ASMN1; 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 9 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
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
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 399/4885MEN1 221/4885MAPT 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.