SCHEMBL18113904

SCHEMBL18113904

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnc(C#N)nc2)s1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 9/20 0.40
▸ P2RY1 P47900 2/20 0.34
▸ ABL1 P00519 1/20 0.32
▸ PIK3CG P48736 2/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ ATF1 P18846 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL18113889 0.88 ABL1 (0.37) POLQP2RY1ABL1PIK3CGATF1
SCHEMBL18113948 0.88 POLQ (0.36) POLQP2RY1PIK3CGATF1NFKB1
SCHEMBL18113859 0.88 ABL1 (0.41) POLQABL1PIK3CGMALT1
SCHEMBL18113820 0.86 P2RY1 (0.47) POLQP2RY1DUSP3
SCHEMBL20481615 0.86 POLQ (0.39) POLQP2RY1ABL1PIK3CGATF1
SCHEMBL18113802 0.84 PI4KB (0.35) POLQP2RY1ABL1PIK3CGPI4KB
SCHEMBL18113817 0.83 ABL1 (0.40) POLQP2RY1ABL1PIK3CGPI4KB
SCHEMBL18113771 0.83 HDAC4 (0.36) POLQP2RY1PI4KBMALT1
SCHEMBL18113902 0.83 P2RY1 (0.39) P2RY1ABL1DUSP3ADORA3
SCHEMBL18113960 0.83 MALT1 (0.36) POLQP2RY1ABL1MALT1

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 4676/4885P2RY1 155/4885ABL1 4491/4885

“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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