SCHEMBL4329280

SCHEMBL4329280

O=[N+]([O-])c1cccc(Cn2ccnc2-c2ccncc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP19A1 P11511 3/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
LIMK2 P53671 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
BRD4 O60885 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PAX8 Q06710 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL3157968 0.80 MEN1 (0.64) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4325546 0.78 CYP11B1 (0.50) CYP19A1CYP11B1CYP11B2LIMK2BRD4
SCHEMBL4696962 0.77 MAPT (0.51) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL2840217 0.77 LIMK2 (0.58) ALDH1A1MEN1KMT2ALIMK2BRD4
SCHEMBL30705834 0.75 PKM (0.61) ALDH1A1HTTMEN1KMT2ALIMK2
SCHEMBL1349836 0.74 ALDH1A1 (0.49) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL17743741 0.73 BRD4 (0.52) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8802767 0.73 TSHR (0.56) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL15497756 0.72 TGM2 (0.49) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL31398154 0.72 MAPT (0.48) ALDH1A1MAPTMEN1KMT2ALMNA

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-1858877-B1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2014-03-12 EP disclosed
EP-1858877-B1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2014-03-12 EP disclosed
US-7625931-B2 1-(5-Chloro-2,4-dimethoxy-phenyl)-3-[3-(2-pyridin-4-yl-imidazol-1-ylmethyl)-phenyl]-urea; treating cancer and diseases characterized by a change in angiogenesis; breast neoplasia, endometrial cancer, colon and neck cancer CGI PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7625931-B2 1-(5-Chloro-2,4-dimethoxy-phenyl)-3-[3-(2-pyridin-4-yl-imidazol-1-ylmethyl)-phenyl]-urea; treating cancer and diseases characterized by a change in angiogenesis; breast neoplasia, endometrial cancer, colon and neck cancer CGI PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7625931-B2 1-(5-Chloro-2,4-dimethoxy-phenyl)-3-[3-(2-pyridin-4-yl-imidazol-1-ylmethyl)-phenyl]-urea; treating cancer and diseases characterized by a change in angiogenesis; breast neoplasia, endometrial cancer, colon and neck cancer CGI PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
EP-1858877-A1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP disclosed
US-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-21 US disclosed
WO-2006076592-A1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity UCK2, AXL, CHUK ALDH1A1 1076/4885MAPT 1868/4885HTT 4810/4885

“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.