SCHEMBL983020

SCHEMBL983020

O=C(Cc1ccccn1)N1CCC(c2cc(Cl)ccc2O)=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
CNR1 P21554 1/20 0.47
ESD P10768 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GRM5 P41594 1/20 0.40
MET P08581 1/20 0.40
KCNMA1 Q12791 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL980992 0.81 MET (0.51) METKMT2AALDH1A1PARP1MAOA
SCHEMBL982454 0.80 ME2 (0.44) FNTAFNTBNPC1RAB9AMET
SCHEMBL979473 0.80 FNTA (0.49) FNTAFNTBGRM5MET
SCHEMBL979197 0.79 ECE2 (0.49) FNTAFNTBESDNPC1RAB9A
SCHEMBL979359 0.79 MET (0.49) METKMT2AMAOAMAOB
SCHEMBL981005 0.76 ALDH1A1 (0.46) FNTAFNTBCNR1NPC1RAB9A
SCHEMBL981328 0.75 MET (0.42) METKMT2AHPGDKDM4EALDH1A1
SCHEMBL12922918 0.75 ALDH1A1 (0.40) METKMT2AHPGDKDM4EALDH1A1
SCHEMBL981003 0.74 MET (0.42) NPC1RAB9AMETKMT2ASMN1; SMN2
SCHEMBL980062 0.74 MAPT (0.48) NPC1METKMT2ASMN1; SMN2ALDH1A1

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 FNTA 3670/4885FNTB 2437/4885CNR1 2100/4885

“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.