SCHEMBL2618368

SCHEMBL2618368

Cc1ccc(-c2nc3cccnc3n2CCc2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BRD4 O60885 2/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASR P41180 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL2618364 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ABRD4CYP2C9
SCHEMBL2607662 0.84 CYP1A2 (0.48) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2618369 0.84 BACE1 (0.42) ALDH1A1MEN1KMT2ABRD4CYP2C9
SCHEMBL3439914 0.79 ATM (0.47) ALDH1A1MEN1KMT2ABRD4KDM4E
SCHEMBL3439912 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2ABRD4KDM4E
SCHEMBL10018496 0.78 KDM4E (0.48) ALDH1A1CASRKDM4ENPSR1
SCHEMBL10018495 0.76 TP53 (0.61) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL2618367 0.75 KDM4E (0.44) ALDH1A1MEN1KMT2ABRD4CYP2C9
SCHEMBL2618363 0.75 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL9792190 0.73 BRD4 (0.52) ALDH1A1MEN1KMT2ABRD4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 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-20120095037-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP ALDH1A1 996/4885MEN1 2838/4885KMT2A 2616/4885

“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.