SCHEMBL1055040

SCHEMBL1055040

O=c1ccc2ccccc2n1NC[C@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR6 P50406 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
CA9 Q16790 1/20 0.36
KAT2B Q92831 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1052083 1.00 POLR1A (0.38) POLR1ACHRNB2CHRNA4HTR6IRAK4
SCHEMBL1054633 1.00 POLR1A (0.38) POLR1ACHRNB2CHRNA4HTR6IRAK4
SCHEMBL1054061 0.96 CYP1A2 (0.41) POLR1ACHRNB2CHRNA4IRAK4CYP1A2
SCHEMBL3733019 0.84 CYP1A2 (0.44) POLR1ACHRNB2CHRNA4IRAK4CYP1A2
SCHEMBL1052475 0.80 KMT2A (0.39) HTR6BRD4
SCHEMBL1049828 0.79 HTR4 (0.45) HTR6CA12BRD4BRPF1CA9
SCHEMBL1054247 0.79 EPHX1 (0.41) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4293090 0.72 HTR6 (0.47) HTR6CA12BRD4BRPF1CA9
SCHEMBL3737684 0.71 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1054030 0.70 PRKCZ (0.40) CHRNB2CHRNA4HTR6IRAK4CA12

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 7 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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 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 (4 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 POLR1A 140/4885CHRNB2 3617/4885CHRNA4 4050/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 POLR1A 4813/4885CHRNB2 4829/4885CHRNA4 4703/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 POLR1A 2793/4885CHRNB2 3068/4885CHRNA4 2323/4885
US-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 POLR1A 3595/4885CHRNB2 3003/4885CHRNA4 3514/4885

“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.