SCHEMBL5866901

SCHEMBL5866901

CC(=O)c1ccc(-c2cc3cnccc3nc2NC(=O)Nc2ccc(F)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ROCK1 Q13464 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PSMD14 O00487 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP2A6 P11509 1/20 0.39
NPC1 O15118 3/20 0.39
IMPDH2 P12268 2/20 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
SCHEMBL5866960 0.88 KMT2A (0.48) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL5751689 0.86 CYP3A4 (0.43) IKBKETBK1CYP2C9CYP2C19CYP3A4
SCHEMBL5749987 0.86 ALDH1A1 (0.51) KMT2AMEN1CYP2C9CYP2C19CYP3A4
SCHEMBL5867000 0.83 FGFR1 (0.47) CYP2C9CYP2C19CYP3A4CYP2A6FGFR1
SCHEMBL5866915 0.83 FGFR1 (0.47) IKBKETBK1CYP2C9CYP2C19CYP3A4
SCHEMBL5750702 0.79 GAA (0.43) KMT2AMEN1CYP2C9CYP2C19CYP3A4
SCHEMBL5746964 0.79 IMPDH2 (0.47) KMT2AMEN1TAAR1ROCK1CYP2C9
SCHEMBL5751620 0.78 ADORA3 (0.47) KMT2AMEN1TAAR1ROCK1NPC1
SCHEMBL5750679 0.77 KMT2A (0.45) KMT2AMEN1TAAR1ROCK1IKBKE
SCHEMBL5751374 0.77 IMPDH2 (0.48) KMT2AMEN1TAAR1ROCK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1785/4885MEN1 1650/4885TAAR1 3028/4885

“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.