SCHEMBL1460159

SCHEMBL1460159

Cc1sc(-c2cccnc2)nc1-c1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
GFER P55789 1/20 0.51
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 3/20 0.49
LMNA P02545 3/20 0.49
CYP2C19 P33261 3/20 0.49
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 3/20 0.47
CYP2E1 P05181 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP2B6 P20813 2/20 0.47
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11460755 0.88 KDM4E (0.63) KDM4EGFERCYP3A4CYP1A2LMNA
SCHEMBL11460952 0.88 RARA (0.56) KDM4EGFERCYP3A4CYP1A2LMNA
SCHEMBL11889107 0.85 MAPT (0.48) KDM4EGFERCYP3A4CYP1A2LMNA
Hydrochloric Acid SCHEMBL1460753 0.84 MAPT (0.47) KDM4EGFERCYP3A4CYP1A2LMNA
SCHEMBL27878654 0.83 KDM4E (0.48) KDM4EGFERCYP3A4CYP1A2LMNA
SCHEMBL1458965 0.80 CHRNB2 (0.51) KDM4EGFERCYP3A4CYP1A2LMNA
SCHEMBL9833618 0.77 SMN1; SMN2 (0.51) KDM4ECYP3A4CYP1A2LMNACYP2C19
SCHEMBL266592 0.77 CYP3A4 (0.61) KDM4ECYP3A4CYP1A2LMNACYP2C19
SCHEMBL14360681 0.76 KDM4E (0.57) KDM4EGFERCYP3A4CYP1A2LMNA
SCHEMBL544650 0.76 ALOX5 (0.55) KDM4EGFERCYP3A4CYP1A2LMNA

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 4 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 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
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 2583/4885GFER 2238/4885CYP3A4 1339/4885

“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.