SCHEMBL18113820

SCHEMBL18113820

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2ccc(C#N)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.47
▸ DUSP3 P51452 1/20 0.41
▸ POLQ O75417 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MAPT P10636 6/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ CISD2 Q8N5K1 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ UBA2 Q9UBT2 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ GSK3A P49840 1/20 0.35

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
SCHEMBL18113902 0.89 P2RY1 (0.39) P2RY1DUSP3RXFP1ADORA2AADORA1
SCHEMBL18113856 0.88 P2RY1 (0.38) P2RY1POLQMAPTLMNAALDH1A1
SCHEMBL18113775 0.87 TP53 (0.40) P2RY1RXFP1MAPTLMNAALDH1A1
SCHEMBL18113904 0.86 POLQ (0.40) P2RY1DUSP3POLQ
SCHEMBL18113875 0.86 DUSP3 (0.42) P2RY1DUSP3POLQMAPTLMNA
SCHEMBL18113771 0.85 HDAC4 (0.36) P2RY1POLQ
SCHEMBL18113859 0.84 ABL1 (0.41) POLQGAA
SCHEMBL18113817 0.83 ABL1 (0.40) P2RY1POLQMAPTLMNAALDH1A1
SCHEMBL20481615 0.83 POLQ (0.39) P2RY1POLQ
SCHEMBL18113801 0.82 NCS1 (0.36) P2RY1DUSP3POLQMAPTKDM4E

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 P2RY1 155/4885DUSP3 870/4885POLQ 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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