SCHEMBL5750679

SCHEMBL5750679

O=C(Nc1ccc(F)cc1)Nc1nc2ccncc2cc1-c1ccsc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ROCK1 Q13464 1/20 0.45
IDH2 P48735 2/20 0.45
MAPT P10636 2/20 0.43
PSMD14 O00487 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPSE Q9Y251 1/20 0.39
IMPDH2 P12268 2/20 0.39
CNR1 P21554 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL5751013 0.88 KMT2A (0.53) KMT2AMEN1IDH2MAPTHTT
SCHEMBL5750784 0.84 FGFR1 (0.43) CYP3A4CYP2C9CYP2C19ADORA3IKBKE
SCHEMBL5746964 0.83 IMPDH2 (0.47) KMT2AMEN1TAAR1ROCK1MAPT
SCHEMBL5750480 0.83 KMT2A (0.47) KMT2AMEN1TAAR1ROCK1MAPT
SCHEMBL5749819 0.82 ALDH1A1 (0.54) KMT2AMEN1IDH2MAPTCYP3A4
SCHEMBL5750526 0.81 FGFR1 (0.51) PDGFRBPDGFRAFGFR1
SCHEMBL5749659 0.81 FGFR1 (0.51) FGFR1
SCHEMBL5748516 0.81 IMPDH2 (0.50) KMT2AMEN1TAAR1MAPTSMN1; SMN2
SCHEMBL5751620 0.78 ADORA3 (0.47) KMT2AMEN1TAAR1ROCK1IMPDH2
SCHEMBL5750018 0.78 POLB (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2

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 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.