SCHEMBL5751077

SCHEMBL5751077

COc1ccccc1-c1cc2cnccc2nc1NC(=O)NC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
MAPT P10636 2/20 0.36
GSK3A P49840 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ROCK2 O75116 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 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
SCHEMBL5749355 0.87 LMNA (0.49) PDGFRBFGFR1SRCPDGFRANPC1
SCHEMBL5749479 0.83 CYP46A1 (0.37) NPC1RAB9ALMNAMAPTROCK2
SCHEMBL5746318 0.82 LCK (0.36) PDGFRARAB9AMAPTROCK2KMT2A
SCHEMBL5866958 0.82 FGFR1 (0.36) PDGFRBFGFR1SRCPDGFRAMAPT
SCHEMBL5750876 0.82 ALDH1A1 (0.38) FGFR1SRCNPC1RAB9ALMNA
SCHEMBL5777109 0.81 GAA (0.39) TP53KDM4CMAPTGSK3AROCK2
SCHEMBL5747258 0.80 FGFR1 (0.48) PDGFRBFGFR1SRCPDGFRANPC1
SCHEMBL5746959 0.79 KDM4C (0.34) KDM4CROCK2HSD17B10GPR6
SCHEMBL5747419 0.79 CYP11B1 (0.38) NPC1RAB9ALMNAROCK2PDE5A
SCHEMBL5748662 0.78 WNT1 (0.35) ROCK2DYRK1A

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 PDGFRB 7/4885FGFR1 24/4885SRC 1144/4885

“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.