SCHEMBL1460067

SCHEMBL1460067

COc1cc(F)c(-c2cc3cc(-c4nc(-c5cccnc5)sc4C)ccc3[nH]2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 5/20 0.39
CYP17A1 P05093 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
PTGS2 P35354 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL1460052 0.90 CYP19A1 (0.41) KDM4ENPC1MAPTRAB9ACYP19A1
SCHEMBL1458890 0.85 CYP19A1 (0.39) KDM4ENPC1MAPTRAB9ACYP19A1
SCHEMBL1459734 0.84 CYP19A1 (0.43) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1459815 0.84 ORAI1 (0.40) KDM4EMAPTCYP19A1MMP2MMP13
SCHEMBL1460864 0.83 APEX1 (0.47) KDM4ENPC1RAB9ACYP19A1MMP2
SCHEMBL1461176 0.83 CLK2 (0.41) KDM4ENPC1RAB9ACYP19A1CYP17A1
SCHEMBL1459057 0.79 ROS1 (0.44) KDM4EMAPTCYP19A1CYP11B1MMP2
SCHEMBL1460233 0.79 MAPK14 (0.45) MAPTMMP2MMP13MMP14PTGS2
SCHEMBL1459555 0.78 MAPK14 (0.39) TEKNPY5RCYP1A2
SCHEMBL1459744 0.78 KDM4E (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2

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 KDM4E 2583/4885NPC1 1299/4885MAPT 2068/4885

“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.