SCHEMBL981591

SCHEMBL981591

COc1cccc(CC(=O)N2CCC(c3ccc(F)cc3)=N2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAOB P27338 5/20 0.47
SIGMAR1 Q99720 2/20 0.47
ORAI1 Q96D31 1/20 0.47
THRB P10828 1/20 0.44
PKM P14618 2/20 0.43

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
SCHEMBL980185 0.92 ALDH1A1 (0.67) ALDH1A1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL981338 0.90 ALDH1A1 (0.58) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL980144 0.89 MAOB (0.55) ALDH1A1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL981926 0.89 ALDH1A1 (0.57) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL982975 0.89 MAOB (0.60) ALDH1A1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL979306 0.88 ALDH1A1 (0.60) ALDH1A1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL980769 0.88 ALDH1A1 (0.55) ALDH1A1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL14610174 0.87 MEN1 (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL982366 0.87 SMN1; SMN2 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL980195 0.87 SMN1; SMN2 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2POLB

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
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

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 399/4885HPGD 2204/4885RAB9A 2347/4885

“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.