SCHEMBL3367348

SCHEMBL3367348

N#Cc1cc(Oc2cc(F)c(N)c(F)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.49
FEN1 P39748 3/20 0.49
KDR P35968 2/20 0.41
GRM2 Q14416 1/20 0.36
MYC P01106 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC22A12 Q96S37 3/20 0.34
DRD1 P21728 1/20 0.34
XDH P47989 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CYP19A1 P11511 1/20 0.33
BRAF P15056 1/20 0.33
MAPK14 Q16539 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
NPY5R Q15761 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SOS1 Q07889 1/20 0.33

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
SCHEMBL1642802 0.88 ALOX5AP (0.49) ALOX5APFEN1KDRGRM2MYC
Hydrochloric Acid SCHEMBL1643633 0.87 ALOX5AP (0.48) ALOX5APFEN1KDRGRM2MYC
SCHEMBL1642799 0.81 ALDH1A1 (0.48) ALOX5APFEN1KDRKCNH2SCN5A
SCHEMBL4648395 0.79 NOS3 (0.52) ALOX5APFEN1KCNH2SCN5ASCN9A
SCHEMBL6388535 0.78 ALOX5AP (0.52) ALOX5APFEN1KDRGRM2MYC
SCHEMBL1642817 0.78 ALOX5AP (0.52) ALOX5APFEN1KDRGRM2SLC22A12
SCHEMBL23900708 0.77 ALOX5AP (0.47) ALOX5APFEN1KDRKCNH2SCN5A
SCHEMBL5318849 0.77 MAOB (0.51) ALOX5APFEN1KDRCYP19A1SMN1; SMN2
SCHEMBL3366823 0.76 ALOX5AP (0.41) ALOX5APFEN1KDRMYCKCNH2
SCHEMBL1680692 0.76 MEN1 (0.47) ALOX5APFEN1KDRCYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP disclosed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 ALOX5AP 3584/4885FEN1 2168/4885KDR 502/4885

“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.