SCHEMBL18113771

SCHEMBL18113771

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ POLQ O75417 2/20 0.36
▸ P2RY1 P47900 5/20 0.36
▸ PI4KB Q9UBF8 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GRM4 Q14833 6/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33

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 0.89 POLQ (0.45) POLQP2RY1PI4KBRAF1BRAF
SCHEMBL18113905 0.89 RAF1 (0.38) POLQP2RY1PI4KBRAF1BRAF
SCHEMBL18113911 0.87 P2RY1 (0.34) POLQP2RY1PI4KBGRM4
SCHEMBL18113902 0.86 P2RY1 (0.39) P2RY1
SCHEMBL18113820 0.85 P2RY1 (0.47) POLQP2RY1
SCHEMBL18113812 0.85 PIK3CA (0.48) P2RY1RAF1BRAFPIK3CA
SCHEMBL18113904 0.83 POLQ (0.40) POLQP2RY1PI4KBMALT1
SCHEMBL18113859 0.83 ABL1 (0.41) POLQPIK3CAMALT1
SCHEMBL18113801 0.83 NCS1 (0.36) POLQP2RY1PI4KBGRM4
SCHEMBL20481615 0.81 POLQ (0.39) POLQP2RY1GRM4PIK3CAMALT1

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 HDAC4 1077/4885HDAC6 1100/4885POLQ 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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