SCHEMBL980164

SCHEMBL980164

Nc1n[nH]c2ccc(C3=NN(C(=O)Cc4ccc5nsnc5c4)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.41
MCHR1 Q99705 1/20 0.36
ROCK2 O75116 4/20 0.36
CDK2 P24941 4/20 0.36
AURKB Q96GD4 4/20 0.36
CDC7 O00311 3/20 0.36
MAP4K4 O95819 3/20 0.36
PRKACA P17612 3/20 0.36
KDR P35968 3/20 0.36
GSK3B P49841 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MKNK2 Q9HBH9 3/20 0.36
HIPK2 Q9H2X6 2/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
DYRK1A Q13627 5/20 0.35
CLK2 P49760 4/20 0.35
DAPK3 O43293 3/20 0.35
CDK1 P06493 3/20 0.35

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
SCHEMBL980719 0.81 ALDH1A1 (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979417 0.80 MAOB (0.43) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981273 0.80 PGR (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2ABL1
SCHEMBL980254 0.80 PGR (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL984420 0.80 HCRTR1 (0.45) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979329 0.78 ALDH1A1 (0.37) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980474 0.78 MAOB (0.58) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL979452 0.78 PGR (0.41) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17004388 0.78 GRM5 (0.39) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981217 0.78 CYP11B1 (0.37) ROCK2ROCK1ALDH1A1HPGDRAB9A

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
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
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 JAK2 11/4885MCHR1 1843/4885ROCK2 449/4885

“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.