SCHEMBL1991165

SCHEMBL1991165

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCC(C(F)(F)F)CC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TRPV4 Q9HBA0 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL1991235 0.89 ALDH1A1 (0.39) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL1996822 0.85 ALDH1A1 (0.54) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL1990180 0.84 ALDH1A1 (0.53) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL5442053 0.84 TRPV4 (0.46) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL3179574 0.83 DRD1 (0.44) SMN1; SMN2PIK3CDPIK3CAPIK3CG
SCHEMBL3179577 0.83 DRD1 (0.44) SMN1; SMN2PIK3CDPIK3CAPIK3CG
SCHEMBL1998159 0.83 CNR2 (0.38) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL1990566 0.82 ALDH1A1 (0.44) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL1993933 0.80 ALDH1A1 (0.43) KDM4EGAAALDH1A1MEN1CYP1A2
SCHEMBL4411114 0.80 DRD1 (0.46) TSHRKMT2ANPSR1HTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866310-B1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2012-07-11 EP disclosed
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists MERCK SHARP & DOHME LTD. (GB) 2011-06-23 US 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-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists NR2C2, NR3C2, NR2E3 KDM4E 4398/4885GAA 4836/4885ALDH1A1 1796/4885

“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.