SCHEMBL2000199

SCHEMBL2000199

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCc4ncc(C(F)(F)F)cc4C3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
DDR1 Q08345 7/20 0.34
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
CCR2 P41597 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL1989787 0.90 KCNH2 (0.38) KCNH2TRPV4MEN1KMT2AHTT
SCHEMBL1994026 0.82 ALDH1A1 (0.45) MEN1KMT2AHTTCYP2C19SMN1; SMN2
SCHEMBL1991412 0.80 KMT2A (0.34) MEN1KMT2AHTTCYP2C19GAA
SCHEMBL1989832 0.80 DPP4 (0.36) TRPV4MEN1KMT2ACYP2C19SMN1; SMN2
SCHEMBL1996771 0.79 TRPV4 (0.36) KCNH2TRPV4MEN1KMT2AHTT
SCHEMBL1997995 0.78 ALDH1A1 (0.48) MEN1KMT2AHTTCYP2C19GAA
SCHEMBL1989962 0.76 P2RX7 (0.39) TRPV4MEN1KMT2ADDR1CYP2C19
SCHEMBL1995106 0.75 CNR2 (0.45) MEN1KMT2ACYP2C19GAAHPGD
SCHEMBL1998159 0.74 CNR2 (0.38) MEN1KMT2AHTTCYP2C19SMN1; SMN2
SCHEMBL1990712 0.73 TRPV4 (0.36) KCNH2TRPV4CCR2

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 KCNH2 543/4885TRPV4 1580/4885MEN1 3443/4885

“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.