SCHEMBL1457779

SCHEMBL1457779

Cc1sc(-c2ccccn2)nc1-c1ccc2[nH]c(-c3c(Cl)cccc3Cl)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 5/20 0.37
GFER P55789 1/20 0.37
FFAR1 O14842 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CBFB Q13951 1/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPY5R Q15761 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.34
APEX1 P27695 1/20 0.34
ITK Q08881 1/20 0.34
TEK Q02763 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL1459706 0.90 KDM4E (0.41) KMT2AMAPTKDM4EGFERFFAR1
SCHEMBL1458841 0.90 KDM4E (0.39) KMT2AMAPTKDM4EGFERFFAR1
SCHEMBL1459780 0.88 KMT2A (0.39) KMT2AMAPTKDM4EGFERCYP1A1
SCHEMBL1459984 0.85 RAB9A (0.38) KMT2AMAPTKDM4EGFERFFAR1
SCHEMBL1459642 0.85 KMT2A (0.40) KMT2AMAPTKDM4EGFERCYP1A1
SCHEMBL1459764 0.84 KMT2A (0.40) KMT2AMAPTKDM4EGFERCYP1A1
SCHEMBL1459938 0.84 CYP19A1 (0.42) KMT2AKDM4EGFERFFAR1CBFB
SCHEMBL1459644 0.82 ORAI1 (0.41) CYP1A1CYP1A2CYP1B1ALDH1A1NPY5R
SCHEMBL1458700 0.80 MMP13 (0.39) KDM4EGFERCBFBIDO1
SCHEMBL1459916 0.79 RAB9A (0.36) KMT2AMAPTKDM4EGFERCYP1A1

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO 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
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 KMT2A 4184/4885MAPT 2068/4885KDM4E 2583/4885

“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.