SCHEMBL5751620

SCHEMBL5751620

O=C(Nc1ccc(F)cc1)Nc1nc2ccncc2cc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
IMPDH2 P12268 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
CNR1 P21554 1/20 0.41
ROCK1 Q13464 1/20 0.41
LMNA P02545 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL5749873 0.84 ALDH1A1 (0.54) ADORA3NPC1RAB9AKMT2AMEN1
SCHEMBL5866816 0.82 PDGFRA (0.46) ADORA3NPC1RAB9AKMT2AMEN1
SCHEMBL5749447 0.81 FGFR1 (0.54) FGFR1KDR
SCHEMBL5750736 0.81 FGFR1 (0.54) FGFR1PDGFRBKDR
SCHEMBL5746964 0.80 IMPDH2 (0.47) NPC1RAB9AKMT2AMEN1TAAR1
SCHEMBL5750480 0.80 KMT2A (0.47) NPC1RAB9AKMT2AMEN1TAAR1
SCHEMBL5748516 0.80 IMPDH2 (0.50) NPC1RAB9AKMT2AMEN1TAAR1
SCHEMBL5866821 0.79 FGFR1 (0.43) NPC1RAB9AKMT2AMEN1TAAR1
SCHEMBL5750679 0.78 KMT2A (0.45) ADORA3NPC1RAB9AKMT2AMEN1
SCHEMBL5751374 0.78 IMPDH2 (0.48) NPC1RAB9AKMT2AMEN1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372648-B1 TIE2 RECEPTOR KINASE INHIBITORS FOR TREATING ANGIOGENIC DISEASES SMITHKLINE BEECHAM CORP (US) 2006-03-15 EP disclosed
US-7005434-B2 Compounds and uses thereof SB CORPORATION (US) 2006-02-28 US disclosed
US-20040048888-A1 Novel compounds and uses thereof SMITHKLINE BEECHAM CORPORATION 2004-03-11 US 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-20040048888-A1 Novel compounds and uses thereof TEK, TIE1, KDR ADORA3 2410/4885NPC1 2798/4885RAB9A 2298/4885

“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.