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SCHEMBL1461065

SCHEMBL1461065

Cc1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3cncnc3C(C)C)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.39
▸ CYP19A1 P11511 2/20 0.37
▸ CLK3 P49761 7/20 0.37
▸ DYRK1A Q13627 7/20 0.37
▸ CLK2 P49760 6/20 0.37
▸ TLR9 Q9NR96 2/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 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
SCHEMBL1459803 0.82 NPY5R (0.44) CYP19A1CLK3DYRK1ACLK2MMP2
SCHEMBL1460864 0.82 APEX1 (0.47) CYP19A1CLK3DYRK1ACLK2MMP2
SCHEMBL1461176 0.81 CLK2 (0.41) SYKCYP19A1CLK3DYRK1ACLK2
SCHEMBL1459734 0.79 CYP19A1 (0.43) SYKCYP19A1CLK3DYRK1ACLK2
SCHEMBL1459057 0.78 ROS1 (0.44) CYP19A1CLK3DYRK1ACLK2MMP2
SCHEMBL1460052 0.78 CYP19A1 (0.41) SYKCYP19A1CLK3DYRK1ACLK2
SCHEMBL1458890 0.75 CYP19A1 (0.39) SYKCYP19A1CLK3DYRK1ACLK2
SCHEMBL1463469 0.74 SLC2A1 (0.50) SYKCYP19A1MMP2MMP13MMP14
SCHEMBL1459815 0.74 ORAI1 (0.40) CYP19A1CLK3DYRK1ACLK2MMP2
SCHEMBL1460067 0.74 KDM4E (0.40) CYP19A1CLK3DYRK1ACLK2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN claimed
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
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN 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 SYK 1542/4885CYP19A1 1576/4885CLK3 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.