SCHEMBL1461176

SCHEMBL1461176

Cc1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3ccncc3F)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.41
CLK3 P49761 3/20 0.41
DYRK1A Q13627 3/20 0.41
CYP19A1 P11511 3/20 0.40
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
CDC7 O00311 1/20 0.38
PTGS2 P35354 1/20 0.38
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SYK P43405 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 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
SCHEMBL1460864 0.92 APEX1 (0.47) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1460052 0.87 CYP19A1 (0.41) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1459057 0.86 ROS1 (0.44) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1459916 0.86 RAB9A (0.36) CLK2CLK3DYRK1ACDC7APEX1
SCHEMBL1458890 0.85 CYP19A1 (0.39) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1459803 0.84 NPY5R (0.44) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1460067 0.83 KDM4E (0.40) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1459815 0.83 ORAI1 (0.40) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1459734 0.83 CYP19A1 (0.43) CLK2CLK3DYRK1ACYP19A1MMP2
SCHEMBL1461065 0.81 SYK (0.39) CLK2CLK3DYRK1ACYP19A1MMP2

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 CLK2 2020/4885CLK3 2532/4885DYRK1A 1201/4885

“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.