SCHEMBL928124

SCHEMBL928124

Nc1nc2ccncc2cc1-c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE7B Q9NP56 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
DHFR P00374 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NPBWR1 P48145 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 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
SCHEMBL15668395 0.80 PDE4B (0.44) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL5042995 0.79 DHFR (0.46) PDE7ADHFRTDP1MAPTMEN1
SCHEMBL928513 0.75 DAO (0.46) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL7079453 0.74 HSD17B10 (0.47) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL4328683 0.74 HSD17B10 (0.47) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL6024676 0.73 HSD17B10 (0.41) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL928078 0.73 FGFR1 (0.47) CYP3A4DHFRTDP1MAPTMEN1
SCHEMBL15668522 0.72 PDE4B (0.44) HSD17B10PDE4BPDE4DPDE7APDE7B
SCHEMBL5748258 0.71 FGFR1 (0.65) CYP3A4LMNA
SCHEMBL2651033 0.70 CYP19A1 (0.54) HSD17B10PDE4DSMN1; SMN2CDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868018-B2 such as N [3-(2-(3-trifluoromethyl)-benzoylamino -[1,6]naphthyridin-3-yl)-2,4-dichloro-phenyl]-3-trifluoromethyl-benzamide, used as antiproliferative agents or for the treatment of autoimmune diseases and nervous system disorders IRM LLC (BM) 2011-01-11 US disclosed
EP-2099797-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-09-29 EP disclosed
EP-2099797-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2009-09-16 EP disclosed
US-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-12-04 US disclosed
WO-2007021795-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 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 (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-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors SGK2, BRSK2, FYN HSD17B10 4678/4885PDE4B 1594/4885PDE4D 2064/4885

“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.