SCHEMBL5238637

SCHEMBL5238637

C=CCNc1nc(Oc2ccccc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
KDM4E B2RXH2 6/20 0.54
GLA P06280 2/20 0.54
TSHR P16473 1/20 0.54
NPY1R P25929 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
SUMO3 P55854 1/20 0.53
SUMO2 P61956 1/20 0.53
SUMO1 P63165 1/20 0.53
HIF1A Q16665 1/20 0.49
AURKA O14965 1/20 0.48
SRC P12931 1/20 0.48
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.43

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
SCHEMBL9287754 0.79 SUMO3 (0.72) KMT2AMEN1KDM4EGLATSHR
SCHEMBL4980653 0.77 KMT2A (0.59) KMT2AMEN1KDM4EGLATSHR
SCHEMBL4977971 0.77 APP (0.63) KMT2AMEN1KDM4EGLATSHR
SCHEMBL4864986 0.75 PDE5A (0.64) KMT2AMEN1KDM4EGLATSHR
SCHEMBL24287430 0.71 AURKA (0.50) KMT2AKDM4EGLAMAPTSMN1; SMN2
SCHEMBL4864291 0.71 KDM4E (0.53) KMT2AMEN1KDM4EGLATSHR
SCHEMBL560210 0.71 POLB (0.58) KMT2AMEN1KDM4EGLATSHR
SCHEMBL26813487 0.70 KDM4E (0.51) KMT2AKDM4EGLAHSD17B10MAPT
SCHEMBL1083851 0.70 MEN1 (0.81) KMT2AMEN1KDM4ETSHRHSD17B10
SCHEMBL11237247 0.70 SMN1; SMN2 (1.00) KMT2AMEN1KDM4EGLATSHR

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
EP-1384712-B1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BREWERY (JP) 2007-03-07 EP disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP 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-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS KMT2A 3222/4885MEN1 2544/4885KDM4E 3631/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 KMT2A 3313/4885MEN1 3007/4885KDM4E 3579/4885

“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.