SCHEMBL1484034

SCHEMBL1484034

Brc1ccc2[nH]c(-c3ccc(-n4cncn4)nc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.48
CYP19A1 P11511 1/20 0.46
PIM1 P11309 1/20 0.39
TDO2 P48775 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1484070 0.87 CYP1A1 (0.45) IDO1CYP19A1PIM1TDO2CDK5
SCHEMBL1484245 0.86 KDM4E (0.41) IDO1CYP19A1PIM1CDK5CDK5R1
SCHEMBL1484601 0.83 MAPT (0.49) IDO1PIM1KDM4EALDH1A1
SCHEMBL1425121 0.80 MAPT (0.37) IDO1PIM1CDK5CDK5R1KDM4E
SCHEMBL1484209 0.79 CYP19A1 (0.46) IDO1CYP19A1PIM1CDK5CDK5R1
SCHEMBL1424267 0.79 PIM1 (0.39) IDO1CYP19A1PIM1CDK5CDK5R1
SCHEMBL1483695 0.79 KDM4E (0.40) CYP19A1PIM1CDK5CDK5R1KDM4E
SCHEMBL1483994 0.79 CYP1A2 (0.37) IDO1PIM1CDK5CDK5R1KDM4E
SCHEMBL1422576 0.76 MAPT (0.41) IDO1CYP19A1PIM1CDK5CDK5R1
SCHEMBL1425629 0.76 CDK5 (0.46) IDO1CYP19A1PIM1CDK5CDK5R1

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-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US claimed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 WO 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-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 IDO1 9/4885CYP19A1 3222/4885PIM1 489/4885

“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.