SCHEMBL1049975

SCHEMBL1049975

O=c1ccc2cc(F)c(NC3CCNC3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
ATAD2 Q6PL18 5/20 0.46
CHEK1 O14757 4/20 0.46
ITK Q08881 1/20 0.39
BPTF Q12830 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
JAK1 P23458 1/20 0.35
PRKCZ Q05513 1/20 0.35
IDH2 P48735 1/20 0.35
KDR P35968 1/20 0.34

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
SCHEMBL1082185 0.86 RXFP1 (0.40) RXFP1
SCHEMBL8567454 0.81 ITK (0.48) BRD4ATAD2CHEK1ITK
SCHEMBL4552186 0.81 RXFP1 (0.39) BRD4RXFP1
SCHEMBL1053066 0.76 BRD4 (0.44) BRD4ATAD2
SCHEMBL1054261 0.71 BRD4 (0.47) BRD4ATAD2CHEK1JAK1
SCHEMBL4291997 0.71 BRD4 (0.47) BRD4ATAD2CHEK1JAK1
SCHEMBL23830542 0.70 SLC6A2 (0.44)
SCHEMBL4300332 0.70 ITK (0.47) BRD4ATAD2ITK
SCHEMBL1081106 0.70 CA12 (0.52) RXFP1
SCHEMBL4553278 0.68 CA12 (0.37) RXFP1

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 2615/4885CHEK1 2358/4885
US-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 BRD4 2641/4885ATAD2 4534/4885CHEK1 1637/4885

“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.