SCHEMBL1990420

SCHEMBL1990420

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCc4ccc(C(F)(F)F)nc4C3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
TRPV4 Q9HBA0 7/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAT2A P31153 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 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
SCHEMBL1991408 0.87 TRPV4 (0.34) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL1989787 0.83 KCNH2 (0.38) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL1992226 0.83 ALDH1A1 (0.40) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL1993836 0.81 TRPV4 (0.38) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL2000181 0.80 ALDH1A1 (0.38) TRPV4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5442053 0.78 TRPV4 (0.46) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL1996822 0.77 ALDH1A1 (0.54) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL10179967 0.76 TRPV4 (0.34) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL1991165 0.76 KDM4E (0.40) TRPV4ALDH1A1CYP1A2CYP2C9MAPK1
SCHEMBL1990180 0.76 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9MAPK1HSD17B10

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 PDE10A 4237/4885TRPV4 1580/4885ALDH1A1 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.