SCHEMBL3439909

SCHEMBL3439909

Cc1ccc(-c2nc3ccncc3n2Cc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
KDM4E B2RXH2 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
BRD4 O60885 2/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3439910 0.91 BRD4 (0.49) TP53KDM4ENPSR1BRD4HTT
SCHEMBL3439912 0.89 MEN1 (0.45) TP53KDM4ENPSR1BRD4HTT
SCHEMBL10018495 0.87 TP53 (0.61) TP53KDM4ENPSR1HTTLMNA
SCHEMBL3439914 0.80 ATM (0.47) TP53KDM4ENPSR1BRD4HTT
SCHEMBL2618367 0.79 KDM4E (0.44) TP53KDM4ENPSR1BRD4HTT
SCHEMBL2607666 0.78 CYP1A2 (0.48) LMNAKMT2AALDH1A1MEN1TSHR
SCHEMBL2618364 0.78 ALDH1A1 (0.50) BRD4KMT2AALDH1A1MEN1CYP2C19
SCHEMBL3439908 0.77 ALDH1A1 (0.49) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL2602437 0.74 ALDH1A1 (0.43) TP53KDM4ENPSR1HTTLMNA
SCHEMBL3439933 0.70 TP53 (0.50) TP53KDM4EBRD4HTTLMNA

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-8329728-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-c]pyridine compounds SPELMAN COLLEGE (US) 2012-12-11 US disclosed
US-20120095038-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-20120095038-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP TP53 89/4885KDM4E 1051/4885NPSR1 4246/4885

“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.