SCHEMBL18113889

SCHEMBL18113889

COc1ncc(-c2sc(NC(=O)c3c(OC)ncnc3OC)nc2C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.37
▸ POLQ O75417 2/20 0.36
▸ P2RY1 P47900 6/20 0.35
▸ PIK3CG P48736 2/20 0.33
▸ ATF1 P18846 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18113948 0.92 POLQ (0.36) POLQP2RY1PIK3CGATF1NFKB1
SCHEMBL18113904 0.88 POLQ (0.40) ABL1POLQP2RY1PIK3CGATF1
SCHEMBL18113802 0.87 PI4KB (0.35) ABL1POLQP2RY1PIK3CGPI4KB
SCHEMBL18113817 0.87 ABL1 (0.40) ABL1POLQP2RY1PIK3CGPI4KB
SCHEMBL18113847 0.85 PIK3CG (0.34) ABL1POLQP2RY1PIK3CGATF1
SCHEMBL18113775 0.84 TP53 (0.40) P2RY1TP53HTTSMN1; SMN2
SCHEMBL18113797 0.84 POLQ (0.42) ABL1POLQPIK3CG
SCHEMBL18113839 0.84 PIK3CD (0.40) ABL1POLQPI4KB
SCHEMBL18113859 0.84 ABL1 (0.41) ABL1POLQPIK3CG
SCHEMBL18113949 0.84 SCN9A (0.38) PIK3CGPI4KB

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 4491/4885POLQ 4676/4885P2RY1 155/4885

“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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