SCHEMBL18113839

SCHEMBL18113839

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cncc(C(F)(F)F)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ POLQ O75417 3/20 0.38
▸ NCS1 P62166 1/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ SCD O00767 4/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ UTRN P46939 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CTPS1 P17812 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
SCHEMBL18113797 0.90 POLQ (0.42) POLQABL1
SCHEMBL18113924 0.86 ABL1 (0.37) ABL1CTPS1
SCHEMBL18113889 0.84 ABL1 (0.37) POLQABL1PI4KB
SCHEMBL18113948 0.84 POLQ (0.36) POLQNCS1PI4KB
SCHEMBL18113859 0.82 ABL1 (0.41) PIK3CDPOLQABL1
SCHEMBL18113847 0.82 PIK3CG (0.34) POLQNCS1ABL1SCDPI4KB
SCHEMBL18113817 0.82 ABL1 (0.40) PIK3CDPOLQABL1PI4KB
SCHEMBL18113775 0.81 TP53 (0.40) —
SCHEMBL20481615 0.81 POLQ (0.39) PIK3CDPOLQABL1SCD
SCHEMBL18113904 0.81 POLQ (0.40) POLQABL1PI4KB

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 PIK3CD 2352/4885POLQ 4676/4885NCS1 480/4885

“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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