SCHEMBL20481615

SCHEMBL20481615

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnc(C#N)c(F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 6/20 0.39
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33
▸ P2RY1 P47900 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.31
▸ ABL1 P00519 2/20 0.31
▸ SCD O00767 1/20 0.31
▸ GPR6 P46095 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ ATF1 P18846 1/20 0.31
▸ NFKB1 P19838 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
SCHEMBL18113859 0.88 ABL1 (0.41) POLQPIK3CGPIK3CAMALT1ABL1
SCHEMBL18113904 0.86 POLQ (0.40) POLQPIK3CGMALT1P2RY1ABL1
SCHEMBL18113738 0.83 GRM5 (0.33) PIK3CGPIK3CAABL1
SCHEMBL18113797 0.83 POLQ (0.42) POLQPIK3CGABL1
SCHEMBL18113820 0.83 P2RY1 (0.47) POLQP2RY1
SCHEMBL18113889 0.82 ABL1 (0.37) POLQPIK3CGP2RY1ABL1ATF1
SCHEMBL18113948 0.82 POLQ (0.36) POLQPIK3CGP2RY1ATF1NFKB1
SCHEMBL18113817 0.82 ABL1 (0.40) POLQPIK3CGP2RY1ABL1PIK3CD
SCHEMBL18113771 0.81 HDAC4 (0.36) POLQPIK3CAMALT1P2RY1GRM4
SCHEMBL18113902 0.81 P2RY1 (0.39) P2RY1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 POLQ 4676/4885PIK3CG 2084/4885PIK3CA 1782/4885

“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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