SCHEMBL984590

SCHEMBL984590

O=C(CCc1ccc2nsnc2c1)N1CCC(c2ccc(F)cc2)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
PGR P06401 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HCRTR1 O43613 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
OPRK1 P41145 1/20 0.33
GFER P55789 1/20 0.33
EDNRB P24530 1/20 0.33

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
SCHEMBL979417 0.89 MAOB (0.43) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL979329 0.81 ALDH1A1 (0.37) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL980719 0.80 ALDH1A1 (0.42) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL981273 0.79 PGR (0.42) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL980254 0.79 PGR (0.46) PGRRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL17004388 0.78 GRM5 (0.39) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL984420 0.78 HCRTR1 (0.45) PGRRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL980870 0.76 MAOB (0.53) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL984592 0.75 MAOB (0.44) MAOBPGRRAB9AALDH1A1HPGD
SCHEMBL984421 0.73 ALDH1A1 (0.39) RAB9AALDH1A1HPGDSMN1; SMN2NPC1

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 4 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

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 MAOB 1138/4885PGR 1338/4885RAB9A 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.