SCHEMBL18113809

SCHEMBL18113809

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnc(N3CCOCC3)nc2)s1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.44
▸ DGAT1 O75907 1/20 0.41
▸ WDR5 P61964 4/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ BRAF P15056 10/20 0.40
▸ RAF1 P04049 7/20 0.40
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38

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
SCHEMBL18113952 0.89 MTOR (0.42) DGAT1ADORA2AADORA1BRAFRAF1
SCHEMBL18113910 0.85 BRAF (0.45) BRAFRAF1
SCHEMBL20481591 0.85 ADORA2A (0.42) WDR5ADORA2AADORA1BRAFRAF1
SCHEMBL18113848 0.85 ADORA2A (0.39) DGAT1ADORA2AADORA1BRAFRAF1
SCHEMBL18113822 0.85 ADORA2A (0.42) ADORA2AADORA1BRAFRAF1KCNQ3
SCHEMBL18113832 0.84 ALDH1A1 (0.47) —
SCHEMBL18113889 0.83 ABL1 (0.37) POLQ
SCHEMBL18113948 0.83 POLQ (0.36) POLQ
SCHEMBL18113934 0.82 ADORA2A (0.41) ADORA2AADORA1BRAFRAF1
SCHEMBL18113802 0.81 PI4KB (0.35) POLQ

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 4676/4885DGAT1 1769/4885WDR5 1960/4885

“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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