SCHEMBL1463641

SCHEMBL1463641

Cc1ccccc1-c1cc2cc(-c3cc(-c4cccnc4)nn3C)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
CYP19A1 P11511 3/20 0.44
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
FFAR1 O14842 1/20 0.41
KIT P10721 1/20 0.41
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1459161 0.89 CYP19A1 (0.43) CYP19A1MMP2MMP13MMP14FFAR1
SCHEMBL1460011 0.89 NPY5R (0.44) NPY5RCYP19A1MMP2MMP13MMP14
SCHEMBL1459934 0.87 MMP13 (0.43) NPY5RCYP19A1MMP2MMP13MMP14
SCHEMBL1459557 0.85 FFAR1 (0.42) NPY5RCYP19A1MMP2MMP13MMP14
SCHEMBL1460837 0.85 CYP19A1 (0.41) CYP19A1MMP2MMP13MMP14CLK2
SCHEMBL1459230 0.84 CYP19A1 (0.47) CYP19A1MMP2MMP13MMP14KIT
SCHEMBL1460856 0.83 CYP19A1 (0.41) CYP19A1MMP2MMP13MMP14CLK2
SCHEMBL1459489 0.83 ROS1 (0.44) CYP19A1MMP2MMP13MMP14
SCHEMBL1459773 0.82 CYP19A1 (0.43) CYP19A1MMP2MMP13MMP14CLK2
SCHEMBL1461179 0.81 MMP13 (0.43) CYP19A1MMP2MMP13MMP14

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 5 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
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 NPY5R 395/4885CYP19A1 1576/4885MMP2 4541/4885

“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.