SCHEMBL25464176

SCHEMBL25464176

COc1cc(-c2cc(Cl)ccc2-n2cc(SC)nn2)ncn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 17/20 0.34
▸ KLKB1 P03952 15/20 0.34
▸ NOTUM Q6P988 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GRM7 Q14831 1/20 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
SCHEMBL24987076 0.90 F11 (0.33) F11KLKB1NOTUMKCNH2CYP3A4
SCHEMBL16972351 0.88 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL16971407 0.85 F11 (0.35) F11KLKB1NOTUMKCNH2CYP3A4
SCHEMBL18316524 0.85 F11 (0.37) F11KLKB1NOTUMCYP3A4
SCHEMBL16971384 0.85 NOTUM (0.38) F11KLKB1NOTUMKCNH2CYP3A4
SCHEMBL16971663 0.83 NOTUM (0.40) F11KLKB1NOTUMKCNH2CYP3A4
SCHEMBL18710672 0.83 NR1I2 (0.39) F11KLKB1NOTUMKCNH2CYP3A4
SCHEMBL16974699 0.83 F11 (0.36) F11KLKB1NOTUMKCNH2CYP3A4
SCHEMBL16971318 0.83 F11 (0.35) F11KLKB1CYP3A4
SCHEMBL30271794 0.83 F11 (0.35) F11KLKB1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151010-A1 CRYSTALLINE FORMS OF (9R, 135S)-13- {4-[5-CHLORO-2-(4-CHLORO-1H,2,3- TRIAZOL- 1 -YL)PHENYL] -6-OXO- 1,6-DIHYDROPYRIMIDIN- 1-YL}-3-(DIFLUOROMETHYL)-9-METHYL-3,4,7,15- TETRAAZATRICYCLO [ 12.3.1.0 2·6] OCTADECA- 1(18), 2(6), 4, 14, 16-PENTAEN-8-ONE JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 — — 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-20230151010-A1 CRYSTALLINE FORMS OF (9R, 135S)-13- {4-[5-CHLORO-2-(4-CHLORO-1H,2,3- TRIAZOL- 1 -YL)PHENYL] -6-OXO- 1,6-DIHYDROPYRIMIDIN- 1-YL}-3-(DIFLUOROMETHYL)-9-METHYL-3,4,7,15- TETRAAZATRICYCLO [ 12.3.1.0 2·6] OCTADECA- 1(18), 2(6), 4, 14, 16-PENTAEN-8-ONE CASP9, TMEM14C, CCT8 F11 244/4885KLKB1 2903/4885NOTUM 2278/4885

“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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