SCHEMBL18113807

SCHEMBL18113807

CCSc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2ccccc2C#N)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MALT1 Q9UDY8 1/20 0.32
▸ P2RY1 P47900 4/20 0.32
▸ USP2 O75604 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ AR P10275 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GRM4 Q14833 2/20 0.31

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
SCHEMBL18113880 0.91 POLQ (0.38) POLQMEN1KMT2AKDM4ENPSR1
SCHEMBL18113960 0.80 MALT1 (0.36) POLQMEN1KMT2AMALT1P2RY1
SCHEMBL20481559 0.79 P2RY1 (0.39) POLQMALT1P2RY1GRM4
SCHEMBL18113962 0.78 POLQ (0.45) POLQMEN1KMT2AALDH1A1P2RY1
SCHEMBL18113820 0.74 P2RY1 (0.47) POLQMEN1KMT2AKDM4EALDH1A1
SCHEMBL18113790 0.74 P2RY1 (0.41) POLQP2RY1GRM4
SCHEMBL18113875 0.74 DUSP3 (0.42) POLQALDH1A1P2RY1NPC1LMNA
SCHEMBL18113859 0.74 ABL1 (0.41) POLQMALT1
SCHEMBL18113801 0.74 NCS1 (0.36) POLQMEN1KMT2AKDM4EP2RY1
SCHEMBL18113800 0.74 PI4KB (0.34) POLQMEN1KMT2AKDM4EALDH1A1

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 4676/4885MEN1 4814/4885KMT2A 4497/4885

“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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