SCHEMBL1991235

SCHEMBL1991235

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCCC(C(F)(F)F)C3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CD O00329 1/20 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
SCHEMBL1996912 0.92 TRPV4 (0.37) KMT2ANPSR1MAP4K4PIK3CDPIK3CA
SCHEMBL1991012 0.89 MAP4K4 (0.36) MAP4K4BCL6DPP4TRPV4TRPV3
SCHEMBL1991529 0.89 KDM4E (0.38) ALDH1A1TSHRGAAKDM4EMEN1
SCHEMBL1991165 0.89 KDM4E (0.40) ALDH1A1TSHRGAAKDM4EMEN1
SCHEMBL1993361 0.88 SCN9A (0.37) MAP4K4DPP4
SCHEMBL1996822 0.84 ALDH1A1 (0.54) ALDH1A1TSHRGAAKDM4EMEN1
SCHEMBL1998159 0.83 CNR2 (0.38) ALDH1A1TSHRGAAKDM4EMEN1
SCHEMBL1990180 0.83 ALDH1A1 (0.53) ALDH1A1TSHRGAAKDM4EMEN1
SCHEMBL5261777 0.80 ALDH1A1 (0.49) ALDH1A1TSHRGAAKDM4EMEN1
SCHEMBL1993933 0.79 ALDH1A1 (0.43) ALDH1A1TSHRGAAKDM4EMEN1

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 ALDH1A1 1796/4885TSHR 161/4885GAA 4836/4885

“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.