SCHEMBL18113905

SCHEMBL18113905

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 11/20 0.38
▸ BRAF P15056 10/20 0.38
▸ POLQ O75417 1/20 0.38
▸ PIK3CA P42336 5/20 0.37
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CB P42338 3/20 0.37
▸ PIK3CG P48736 3/20 0.37
▸ P2RY1 P47900 2/20 0.36
▸ GAK O14976 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL18113758 0.90 POLQ (0.45) RAF1BRAFPOLQPIK3CAPIK3CD
SCHEMBL18113771 0.89 HDAC4 (0.36) RAF1BRAFPOLQPIK3CAP2RY1
SCHEMBL18113856 0.86 P2RY1 (0.38) POLQP2RY1PI4KBABL1
SCHEMBL18113911 0.85 P2RY1 (0.34) POLQP2RY1PI4KBABL1
SCHEMBL18113812 0.83 PIK3CA (0.48) RAF1BRAFPIK3CAPIK3CDPIK3CB
SCHEMBL18113902 0.82 P2RY1 (0.39) P2RY1ABL1
SCHEMBL18113820 0.81 P2RY1 (0.47) POLQP2RY1
SCHEMBL18113887 0.80 PI4KB (0.36) RAF1BRAFPOLQPI4KBABL1
SCHEMBL18113904 0.79 POLQ (0.40) POLQPIK3CGP2RY1PI4KBABL1
SCHEMBL18113859 0.79 ABL1 (0.41) POLQPIK3CAPIK3CDPIK3CBPIK3CG

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 RAF1 3177/4885BRAF 3857/4885POLQ 4676/4885

“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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