SCHEMBL1990712

SCHEMBL1990712

O=c1c2ncsc2nc(N2CCc3ncc(C(F)(F)F)cc3C2)n1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.36
DPP4 P27487 1/20 0.34
KDR P35968 4/20 0.31
PDGFRB P09619 3/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL1996771 0.77 TRPV4 (0.36) TRPV4KDRPDGFRBKCNH2
SCHEMBL1989787 0.75 KCNH2 (0.38) TRPV4KDRPDGFRBKCNH2
SCHEMBL2000199 0.73 KCNH2 (0.35) TRPV4CCR2KCNH2
SCHEMBL2233206 0.68 SLC22A12 (0.34) TRPV4
SCHEMBL2234818 0.67 P2RY1 (0.38)
SCHEMBL11920288 0.67 TSHR (0.36) DPP4
SCHEMBL1991949 0.66 TSHR (0.35) DPP4
Hydrochloric Acid SCHEMBL2234244 0.66 TSHR (0.35) DPP4
SCHEMBL31452455 0.64 TLR7 (0.40) KDRPDGFRBCCR2KCNH2
SCHEMBL31452417 0.64 HTT (0.36) KDRPDGFRBCCR2KCNH2SCN10A

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 TRPV4 1580/4885DPP4 4315/4885KDR 193/4885

“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.