SCHEMBL1460233

SCHEMBL1460233

Cc1sc(-c2ccncc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.45
CSNK1D P48730 4/20 0.45
CSNK1E P49674 4/20 0.45
APEX1 P27695 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
TEK Q02763 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KLK7 P49862 1/20 0.36
KMT2A Q03164 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MMP13 P45452 2/20 0.35
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL1459555 0.89 MAPK14 (0.39) MAPK14CSNK1DCSNK1EAPEX1CYP1A1
SCHEMBL1460052 0.89 CYP19A1 (0.41) MAPK14CSNK1DCSNK1EAPEX1CYP1A2
SCHEMBL1459992 0.85 HTT (0.38) MAPK14CSNK1DCSNK1EAPEX1CYP1A1
SCHEMBL1459780 0.85 KMT2A (0.39) MAPK14CSNK1DCSNK1EAPEX1CYP1A1
SCHEMBL1458890 0.84 CYP19A1 (0.39) MAPK14CSNK1DCSNK1EAPEX1CYP1A1
SCHEMBL1461145 0.83 APEX1 (0.35) MAPK14CSNK1DCSNK1EAPEX1
SCHEMBL1459815 0.83 ORAI1 (0.40) MAPK14CSNK1DCSNK1EAPEX1MAPT
SCHEMBL1460909 0.82 MAPK14 (0.38) MAPK14CSNK1DCSNK1EAPEX1CYP1A1
SCHEMBL1460001 0.82 ORAI1 (0.41) MAPK14CSNK1DCSNK1EAPEX1CYP1A1
SCHEMBL1459982 0.81 MAPK14 (0.35) MAPK14CSNK1DCSNK1EAPEX1CYP1A1

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 MAPK14 3112/4885CSNK1D 489/4885CSNK1E 516/4885

“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.