SCHEMBL2618367

SCHEMBL2618367

Cc1ccc(-c2nc3ncccc3n2Cc2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 1/20 0.43
BACE1 P56817 1/20 0.43
KMT2A Q03164 5/20 0.43
TP53 P04637 2/20 0.42
MCL1 Q07820 1/20 0.42
BAD Q92934 1/20 0.42
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL2618369 0.89 BACE1 (0.42) KDM4ENPSR1BRD4BACE1KMT2A
SCHEMBL2602437 0.85 ALDH1A1 (0.43) KDM4ENPSR1KMT2ATP53MCL1
SCHEMBL10018495 0.84 TP53 (0.61) KDM4ENPSR1KMT2ATP53NPC1
SCHEMBL2618364 0.82 ALDH1A1 (0.50) BRD4KMT2ACYP2C19ALDH1A1MEN1
SCHEMBL3439909 0.79 TP53 (0.46) KDM4ENPSR1BRD4KMT2ATP53
SCHEMBL3439910 0.79 BRD4 (0.49) KDM4ENPSR1BRD4KMT2ATP53
SCHEMBL2618365 0.78 BACE1 (0.45) KDM4ENPSR1BACE1KMT2ACYP2C19
SCHEMBL2618368 0.75 ALDH1A1 (0.46) KDM4ENPSR1BRD4KMT2ACYP2C19
SCHEMBL2607666 0.73 CYP1A2 (0.48) KMT2ACYP2C19LMNAALDH1A1TSHR
SCHEMBL2618384 0.71 BRD4 (0.49) KDM4EBRD4KMT2ATP53NPC1

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 KDM4E 1204/4885NPSR1 4205/4885BRD4 291/4885

“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.