SCHEMBL4328683

SCHEMBL4328683

O=[N+]([O-])c1ccc(Cl)c(-c2ccncc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE7B Q9NP56 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
CDK2 P24941 4/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 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
SCHEMBL6024676 0.92 HSD17B10 (0.41) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL2648687 0.87 ALDH1A1 (0.49) PDE4BPDE4DPDE7APDE7BSMN1; SMN2
SCHEMBL7079453 0.80 HSD17B10 (0.47) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL21022151 0.78 HSD17B10 (0.51) HSD17B10SMN1; SMN2CYP3A4ALDH1A1HIF1A
SCHEMBL4534621 0.77 MAPK14 (0.49) CYP3A4ALOX15MAPK1ALDH1A1CDK2
SCHEMBL31468784 0.77 CYP19A1 (0.40) SMN1; SMN2ALDH1A1HIF1AKMT2AMAPT
SCHEMBL2651033 0.75 CYP19A1 (0.54) HSD17B10PDE4DSMN1; SMN2ALDH1A1CDK2
SCHEMBL2887065 0.74 ALDH1A1 (0.47) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL4327967 0.74 NUDT1 (0.42) SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL928124 0.74 HSD17B10 (0.41) HSD17B10PDE4BPDE4DPDE7APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 WO 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 (3 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF HSD17B10 3072/4885PDE4B 984/4885PDE4D 1520/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HSD17B10 3072/4885PDE4B 984/4885PDE4D 1520/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HSD17B10 3072/4885PDE4B 984/4885PDE4D 1520/4885

“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.