SCHEMBL5749873

SCHEMBL5749873

CC(=O)c1cccc(NC(=O)Nc2nc3ccncc3cc2-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ADORA3 P0DMS8 2/20 0.46
IMPDH2 P12268 2/20 0.43
RIPK1 Q13546 1/20 0.42
CNR1 P21554 1/20 0.42
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL5751620 0.84 ADORA3 (0.47) NPC1RAB9AKMT2AMEN1ADORA3
SCHEMBL5749184 0.83 ALDH1A1 (0.51) ALDH1A1HTTTSHRNPC1RAB9A
SCHEMBL5749987 0.83 ALDH1A1 (0.51) ALDH1A1HTTTSHRNPC1RAB9A
SCHEMBL5749065 0.83 ALDH1A1 (0.53) ALDH1A1HTTTSHRNPC1RAB9A
SCHEMBL5749483 0.82 ALDH1A1 (0.52) ALDH1A1HTTTSHRNPC1RAB9A
SCHEMBL5749819 0.82 ALDH1A1 (0.54) ALDH1A1HTTTSHRNPC1RAB9A
SCHEMBL5748752 0.82 ALDH1A1 (0.51) ALDH1A1HTTTSHRNPC1RAB9A
SCHEMBL5750736 0.81 FGFR1 (0.54) FGFR1
SCHEMBL5749447 0.81 FGFR1 (0.54) FGFR1
SCHEMBL5749946 0.81 ALDH1A1 (0.50) ALDH1A1HTTTSHRKMT2AMEN1

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 ALDH1A1 1375/4885HTT 2515/4885TSHR 1752/4885

“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.