SCHEMBL1996514

SCHEMBL1996514

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(N3CCc4ccc(F)cc4C3)nc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 10/20 0.40
ALDH1A1 P00352 3/20 0.40
SYK P43405 2/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 2/20 0.38
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
NR3C2 P08235 1/20 0.34
TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL1993836 0.94 TRPV4 (0.38) TRPV4ALDH1A1SYKTSHRMAPT
SCHEMBL2000181 0.93 ALDH1A1 (0.38) TRPV4ALDH1A1SYKTSHRMAPT
SCHEMBL1992226 0.86 ALDH1A1 (0.40) TRPV4ALDH1A1SYKTSHRMAPT
SCHEMBL1990420 0.75 PDE10A (0.36) TRPV4ALDH1A1TSHRMAOBADORA1
SCHEMBL1989787 0.74 KCNH2 (0.38) TRPV4ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL1996912 0.73 TRPV4 (0.37) TRPV4ADORA3ADORA2AADORA2BADORA1
SCHEMBL1991408 0.73 TRPV4 (0.34) TRPV4ALDH1A1TSHRMAOBADORA1
SCHEMBL5442053 0.73 TRPV4 (0.46) TRPV4ALDH1A1TSHRMAPT
SCHEMBL1990186 0.71 CDK1 (0.39) TSHRSMN1; SMN2
SCHEMBL11920280 0.71 HKDC1 (0.37) ALDH1A1TSHRSMN1; 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 4 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
EP-1866310-A1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 EP disclosed
WO-2006100520-A1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 WO 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 TRPV4 1580/4885ALDH1A1 1796/4885SYK 3995/4885

“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.