SCHEMBL18113902

SCHEMBL18113902

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cccc(C#N)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 3/20 0.39
▸ DUSP3 P51452 1/20 0.38
▸ RORC P51449 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ WNT3A P56704 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ APLNR P35414 1/20 0.35

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
SCHEMBL18113820 0.89 P2RY1 (0.47) P2RY1DUSP3ADORA2AADORA1EGLN1
SCHEMBL18113771 0.86 HDAC4 (0.36) P2RY1
SCHEMBL18113875 0.85 DUSP3 (0.42) P2RY1DUSP3ADORA2AADORA1
SCHEMBL18113904 0.83 POLQ (0.40) P2RY1DUSP3ADORA3ABL1
SCHEMBL18113801 0.83 NCS1 (0.36) P2RY1DUSP3
SCHEMBL18113859 0.83 ABL1 (0.41) ABL1
SCHEMBL18113920 0.82 NTRK1 (0.38) P2RY1TP53
SCHEMBL18113911 0.82 P2RY1 (0.34) P2RY1ABL1WNT3AGSK3B
SCHEMBL18113905 0.82 RAF1 (0.38) P2RY1ABL1
SCHEMBL18113758 0.81 POLQ (0.45) P2RY1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 P2RY1 155/4885DUSP3 870/4885RORC 300/4885

“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.

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