SCHEMBL981998

SCHEMBL981998

COc1cccc(CC(=O)N2CCC(c3ccc(C#N)cc3)=N2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NR3C2 P08235 1/20 0.47
MAOB P27338 4/20 0.45
SIGMAR1 Q99720 2/20 0.45
EGLN2 Q96KS0 3/20 0.44
ORAI1 Q96D31 1/20 0.43
RIPK1 Q13546 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.41

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
SCHEMBL984691 0.91 MAOB (0.49) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL980185 0.90 ALDH1A1 (0.67) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL981950 0.88 SMN1; SMN2 (0.64) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL981338 0.88 ALDH1A1 (0.58) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL979306 0.87 ALDH1A1 (0.60) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL981926 0.87 ALDH1A1 (0.57) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL981591 0.87 ALDH1A1 (0.57) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL982975 0.86 MAOB (0.60) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL980769 0.85 ALDH1A1 (0.55) RAB9AALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL982227 0.84 NR3C2 (0.46) RAB9AALDH1A1HPGDSMN1; SMN2NR3C2

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 5 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
CN-101243048-A 1-acyldihydropyrazol derivatives MERCK PATENT GMBH (DE) 2008-08-13 CN 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 RAB9A 2347/4885ALDH1A1 399/4885HPGD 2204/4885

“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.