SCHEMBL980141

SCHEMBL980141

O=C(Cc1ccc2nc[nH]c2c1)N1CCC(c2cc(F)cc(F)c2)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
DRD4 P21917 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
DRD3 P35462 1/20 0.37
PARP1 P09874 1/20 0.37
HSD11B1 P28845 2/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
QPCTL Q9NXS2 2/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 1/20 0.36
QPCT Q16769 1/20 0.36
DRD2 P14416 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL980139 0.92 SMN1; SMN2 (0.35) NAMPTCCNE1CDK2CDK5PARP1
SCHEMBL979214 0.83 GRM5 (0.38) SMN1; SMN2QPCTLKDM4E
SCHEMBL12922933 0.81 GRIN1 (0.39) POLBSMN1; SMN2DYRK1AKDM4E
SCHEMBL979329 0.80 ALDH1A1 (0.37) SMN1; SMN2KDM4E
SCHEMBL982528 0.78 PGR (0.41) POLBSMN1; SMN2QPCT
SCHEMBL981952 0.77 PARP1 (0.34) DRD4TMEM97SIGMAR1DRD3PARP1
SCHEMBL17004375 0.75 ORAI1 (0.39) PARP1SMN1; SMN2
SCHEMBL981997 0.75 ALDH1A1 (0.38) NAMPTSMN1; SMN2QPCTL
SCHEMBL980615 0.74 MAOB (0.40) SMN1; SMN2
SCHEMBL980870 0.72 MAOB (0.53) HSD11B1POLBSMN1; SMN2

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 3 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

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 NAMPT 3389/4885CCNE1 252/4885CDK2 50/4885

“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.