SCHEMBL18113758

SCHEMBL18113758

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2ccnc(C(F)(F)F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 2/20 0.45
▸ PIK3CA P42336 8/20 0.39
▸ PIK3CD O00329 7/20 0.39
▸ PIK3CG P48736 6/20 0.39
▸ PIK3CB P42338 6/20 0.39
▸ LRRK2 Q5S007 1/20 0.37
▸ P2RY1 P47900 3/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ GAK O14976 1/20 0.36
▸ PRKACG P22612 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RAF1 P04049 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 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
SCHEMBL18113905 0.90 RAF1 (0.38) POLQPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL18113771 0.89 HDAC4 (0.36) POLQPIK3CAP2RY1PI4KBRAF1
SCHEMBL18113911 0.85 P2RY1 (0.34) POLQP2RY1PI4KB
SCHEMBL18113775 0.83 TP53 (0.40) P2RY1MEN1TP53POLBMAPT
SCHEMBL18113812 0.83 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGPIK3CBP2RY1
SCHEMBL18113910 0.83 BRAF (0.45) LRRK2RAF1BRAF
SCHEMBL18113878 0.82 PIK3CD (0.37) POLQPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL18113948 0.82 POLQ (0.36) POLQPIK3CGP2RY1PI4KBNPC1
SCHEMBL18113889 0.82 ABL1 (0.37) POLQPIK3CGP2RY1PI4KBNPC1
SCHEMBL18113817 0.82 ABL1 (0.40) POLQPIK3CDPIK3CGP2RY1PI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — WO 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 POLQ 4676/4885PIK3CA 1782/4885PIK3CD 2352/4885

“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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