SCHEMBL18113924

SCHEMBL18113924

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.37
▸ P2RY1 P47900 2/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ ATF1 P18846 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CTPS1 P17812 3/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL18113839 0.86 PIK3CD (0.40) ABL1CTPS1
SCHEMBL18113797 0.86 POLQ (0.42) ABL1PIK3CG
SCHEMBL18113889 0.80 ABL1 (0.37) ABL1P2RY1PIK3CGATF1NFKB1
SCHEMBL18113948 0.80 POLQ (0.36) P2RY1PIK3CGATF1NFKB1
SCHEMBL18113859 0.79 ABL1 (0.41) ABL1PIK3CGPIK3CA
SCHEMBL18113780 0.79 ACHE (0.33) ABL1P2RY1PIK3CG
SCHEMBL18113817 0.78 ABL1 (0.40) ABL1P2RY1PIK3CG
SCHEMBL18113847 0.78 PIK3CG (0.34) ABL1P2RY1PIK3CGATF1NFKB1
SCHEMBL18113775 0.78 TP53 (0.40) P2RY1
SCHEMBL20481615 0.77 POLQ (0.39) ABL1P2RY1PIK3CGATF1NFKB1

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 ABL1 4491/4885P2RY1 155/4885PIK3CG 2084/4885

“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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