SCHEMBL3366823

SCHEMBL3366823

Cc1cc(Oc2ccnc(C#N)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
KDR P35968 1/20 0.39
NR4A1 P22736 1/20 0.39
SCN9A Q15858 2/20 0.37
PPARG P37231 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MYC P01106 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.82 ALOX5AP (0.49) ALOX5APFEN1KDRNR4A1SCN9A
SCHEMBL1642799 0.81 ALDH1A1 (0.48) ALOX5APFEN1KDRSCN9AMAPT
SCHEMBL4328013 0.81 NOS3 (0.55) ALOX5APFEN1NR4A1SCN9AMAPT
SCHEMBL4794755 0.81 NR4A1 (0.44) NR4A1SCN9APPARGMAPTMEN1
Hydrochloric Acid SCHEMBL1643633 0.81 ALOX5AP (0.48) ALOX5APFEN1KDRNR4A1SCN9A
SCHEMBL3370657 0.78 ALOX5AP (0.44) ALOX5APFEN1KDRSCN9AMEN1
SCHEMBL1435338 0.78 ALOX5AP (0.42) ALOX5APFEN1KDRNR4A1SCN9A
SCHEMBL1644565 0.78 KDR (0.52) ALOX5APFEN1KDRAR
SCHEMBL486670 0.78 NR4A1 (0.61) NR4A1MAPTMEN1KMT2AHPGD
SCHEMBL6474187 0.77 MYC (0.47) ALOX5APFEN1KDRNR4A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders BAYER HEALTHCARE LLC (US) 2011-04-28 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
CN-1839126-A Novel cyanopyridine derivatives for the treatment of cancer and other disorders BAYER PHARMACEUTICALS CORP (US) 2006-09-27 CN 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
WO-2004078747-A1 NOVEL CYANOPYRIDINE 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-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders DPYD, TYMP, TYMS ALOX5AP 1346/4885FEN1 340/4885KDR 2622/4885

“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.