SCHEMBL980139

SCHEMBL980139

O=C(Cc1ccc2[nH]cnc2c1)N1CCC(c2cc(F)cc(F)c2)=N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
ECE2 P0DPD6 1/20 0.34
TYMS P04818 1/20 0.33
PARP1 P09874 2/20 0.32
NAMPT P43490 3/20 0.32
MAOB P27338 2/20 0.32
HSD11B1 P28845 2/20 0.32
GRIN2B Q13224 2/20 0.31
HCRTR1 O43613 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL980141 0.92 NAMPT (0.38) SMN1; SMN2PARP1NAMPTHSD11B1CCNE1
SCHEMBL979214 0.91 GRM5 (0.38) SMN1; SMN2ALDH1A1HPGDRAB9AMAOB
SCHEMBL982528 0.86 PGR (0.41) SMN1; SMN2ALDH1A1HPGDRAB9AECE2
SCHEMBL981952 0.85 PARP1 (0.34) ECE2TYMSPARP1GRIN2B
SCHEMBL17004375 0.83 ORAI1 (0.39) SMN1; SMN2ALDH1A1HPGDRAB9ATYMS
SCHEMBL981997 0.83 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1HPGDRAB9AECE2
SCHEMBL12922933 0.81 GRIN1 (0.39) SMN1; SMN2ALDH1A1HPGDRAB9AMAOB
SCHEMBL979329 0.80 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HPGDRAB9AECE2
SCHEMBL4628246 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDRAB9AECE2
SCHEMBL981799 0.79 MET (0.48) SMN1; SMN2ECE2TYMSNAMPTPOLB

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 SMN1; SMN2 4245/4885ALDH1A1 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.