SCHEMBL1054261

SCHEMBL1054261

O=c1cc(N[C@H]2CCNC2)c2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
ATAD2 Q6PL18 2/20 0.47
OPRM1 P35372 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
CNR1 P21554 3/20 0.45
CHEK1 O14757 8/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
JAK1 P23458 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4291997 1.00 BRD4 (0.47) BRD4ATAD2OPRM1ALDH1A1ALOX15
SCHEMBL1053495 0.92 JAK1 (0.49) OPRM1ALDH1A1ALOX15CNR1CHEK1
SCHEMBL4295570 0.92 OPRM1 (0.51) BRD4ATAD2OPRM1ALDH1A1ALOX15
SCHEMBL1055073 0.77 OPRM1 (0.61) BRD4OPRM1ALDH1A1ALOX15CNR1
SCHEMBL1055067 0.75 OPRM1 (0.57) OPRM1ALDH1A1ALOX15CNR1CYP1A2
SCHEMBL1054942 0.75 PDGFRB (0.52) BRD4ATAD2ALDH1A1ALOX15CHEK1
SCHEMBL6208417 0.75 CNR1 (0.61) CNR1CHEK1
SCHEMBL1052650 0.74 UTS2R (0.47) BRD4ATAD2ALDH1A1ALOX15
SCHEMBL4309421 0.73 CNR1 (0.58) OPRM1CNR1KDM4EJAK1MAPK1
SCHEMBL13680299 0.72 AURKA (0.54) BRD4ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875624-B2 administering a cancer patient 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one in the treatment of disorders relating to cell adhesion and metastatic processes; for monitoring the effects of drug by measuring the levels of ICAM, VCAM, or E-selectin in the patient NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-01-25 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 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 (2 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-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 BRD4 697/4885ATAD2 2615/4885OPRM1 2790/4885
US-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 BRD4 2641/4885ATAD2 4534/4885OPRM1 223/4885

“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.