SCHEMBL2602437

SCHEMBL2602437

Cc1ccc(-c2nc3nccnc3n2Cc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.39
MYC P01106 1/20 0.39
MCL1 Q07820 2/20 0.38
BAD Q92934 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2602435 0.88 MEN1 (0.39) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL2618367 0.85 KDM4E (0.44) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL2618364 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP2C19RXFP1
SCHEMBL2607666 0.78 CYP1A2 (0.48) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2618369 0.77 BACE1 (0.42) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL2602436 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL10018495 0.76 TP53 (0.61) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL3439909 0.74 TP53 (0.46) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL3439910 0.74 BRD4 (0.49) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL2618368 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095009-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-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP ALDH1A1 1026/4885MEN1 3018/4885KMT2A 2537/4885

“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.