SCHEMBL18113960

SCHEMBL18113960

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2ccncc2C#N)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.36
▸ ABL1 P00519 4/20 0.35
▸ POLQ O75417 4/20 0.35
▸ P2RY1 P47900 2/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ AR P10275 1/20 0.34
▸ XIAP P98170 1/20 0.33
▸ BIRC2 Q13490 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 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
SCHEMBL18113859 0.86 ABL1 (0.41) MALT1ABL1POLQLRRK2
SCHEMBL20481559 0.83 P2RY1 (0.39) MALT1ABL1POLQP2RY1
SCHEMBL18113904 0.83 POLQ (0.40) MALT1ABL1POLQP2RY1
SCHEMBL18113880 0.81 POLQ (0.38) MALT1POLQP2RY1MEN1NPC1
SCHEMBL18113820 0.81 P2RY1 (0.47) POLQP2RY1GSK3AGSK3BMEN1
SCHEMBL18113962 0.81 POLQ (0.45) POLQP2RY1MEN1POLBMAPT
SCHEMBL18113875 0.81 DUSP3 (0.42) POLQP2RY1NPC1MAPTHTT
SCHEMBL18113893 0.81 NPC1 (0.38) ABL1LIMK1LIMK2CHRM4MEN1
SCHEMBL18113771 0.80 HDAC4 (0.36) MALT1POLQP2RY1
SCHEMBL18113807 0.80 POLQ (0.36) MALT1POLQP2RY1ARMEN1

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 MALT1 3998/4885ABL1 4491/4885POLQ 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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