SCHEMBL5751689

SCHEMBL5751689

CNC(=O)Nc1nc2ccncc2cc1-c1ccc(C(C)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FGFR1 P11362 5/20 0.42
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
IL2 P60568 2/20 0.36
PGK1 P00558 1/20 0.36
WNT1 P04628 2/20 0.35
TGFBR1 P36897 1/20 0.35
MAP4K1 Q92918 3/20 0.35
ABL1 P00519 2/20 0.35
SRC P12931 2/20 0.34
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
TESK1 Q15569 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
SCHEMBL5867000 0.89 FGFR1 (0.47) CYP3A4CYP2A6CYP2C9CYP2C19FGFR1
SCHEMBL5866915 0.89 FGFR1 (0.47) CYP3A4CYP2A6CYP2C9CYP2C19FGFR1
SCHEMBL5866901 0.86 KMT2A (0.43) CYP3A4CYP2A6CYP2C9CYP2C19FGFR1
SCHEMBL5749987 0.85 ALDH1A1 (0.51) CYP3A4CYP2A6CYP2C9CYP2C19FGFR1
SCHEMBL5750702 0.84 GAA (0.43) CYP3A4CYP2A6CYP2C9CYP2C19WNT1
SCHEMBL5866960 0.82 KMT2A (0.48)
SCHEMBL5746140 0.76 FGFR1 (0.48) FGFR1MAP4K1ABL1SRC
SCHEMBL5750784 0.76 FGFR1 (0.43) CYP3A4CYP2A6CYP2C9CYP2C19FGFR1
SCHEMBL5749111 0.74 ABL1 (0.43) FGFR1MAP4K1ABL1ALDH1A1
SCHEMBL5866725 0.73 IMPDH2 (0.45) FGFR1MAP4K1ABL1SRC

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 CYP3A4 4703/4885CYP2A6 4371/4885CYP2C9 4824/4885

“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.