SCHEMBL18113801

SCHEMBL18113801

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cccc(C#N)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCS1 P62166 1/20 0.36
▸ PI4KB Q9UBF8 2/20 0.36
▸ DUSP3 P51452 1/20 0.35
▸ CTSS P25774 3/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ SCD O00767 4/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL18113854 0.87 PI4KB (0.38) NCS1PI4KBMAPTGRM4MEN1
SCHEMBL18113762 0.87 PI4KB (0.39) NCS1PI4KBGRM4MEN1KMT2A
SCHEMBL18113800 0.87 PI4KB (0.34) NCS1PI4KBDUSP3GRM4SCD
SCHEMBL20481494 0.84 ADORA2A (0.46) NCS1PI4KBGRM4MEN1KMT2A
SCHEMBL18113902 0.83 P2RY1 (0.39) DUSP3P2RY1
SCHEMBL18113771 0.83 HDAC4 (0.36) PI4KBGRM4P2RY1POLQ
SCHEMBL18113899 0.83 RAF1 (0.36) NCS1PI4KBMAPTSCDKDM4E
SCHEMBL18113820 0.82 P2RY1 (0.47) DUSP3MAPTMEN1KMT2AP2RY1
SCHEMBL18113962 0.82 POLQ (0.45) DUSP3MAPTGRM4MEN1KMT2A
SCHEMBL18113881 0.82 PI4KB (0.36) NCS1PI4KBGRM4SCDNPC1

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
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

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 NCS1 480/4885PI4KB 2233/4885DUSP3 870/4885

“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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