Sugi Predict

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SCHEMBL1460052

SCHEMBL1460052

Cc1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.41
▸ CLK2 P49760 2/20 0.40
▸ CLK3 P49761 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36

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
SCHEMBL1458890 0.95 CYP19A1 (0.39) CYP19A1CLK2CLK3DYRK1AMMP2
SCHEMBL1459815 0.93 ORAI1 (0.40) CYP19A1CLK2CLK3DYRK1AMMP2
SCHEMBL1459734 0.90 CYP19A1 (0.43) CYP19A1CLK2CLK3DYRK1AMMP2
SCHEMBL1460067 0.90 KDM4E (0.40) CYP19A1CLK2CLK3DYRK1AMMP2
SCHEMBL1460864 0.89 APEX1 (0.47) CYP19A1CLK2CLK3DYRK1AMMP2
SCHEMBL1460233 0.89 MAPK14 (0.45) MMP2MMP13MMP14CSNK1DCSNK1E
SCHEMBL1459555 0.88 MAPK14 (0.39) CSNK1DCSNK1EMAPK14APEX1CYP1A2
SCHEMBL1459744 0.87 KDM4E (0.42) CYP19A1CLK2CLK3DYRK1AMMP2
SCHEMBL1461176 0.87 CLK2 (0.41) CYP19A1CLK2CLK3DYRK1AMMP2
SCHEMBL1459992 0.86 HTT (0.38) CLK2CLK3DYRK1ACSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E CYP19A1 1576/4885CLK2 2020/4885CLK3 2532/4885

“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.