SCHEMBL5027736

SCHEMBL5027736

O=C(Cc1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1)Nc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CDK2 P24941 3/20 0.42
CCNE1 P24864 2/20 0.42
CDK5 Q00535 2/20 0.42
AURKB Q96GD4 2/20 0.41
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
CSK P41240 1/20 0.41
JAK3 P52333 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
SCHEMBL5026015 0.92 CCNE1 (0.44) AURKAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5025190 0.88 SMN1; SMN2 (0.42) KMT2AMEN1MAPTSMN1; SMN2CDK2
SCHEMBL5029591 0.88 KCNJ5 (0.47) AURKAKMT2AMEN1MAPTCDK2
SCHEMBL5027769 0.85 TSHR (0.45) AURKAKMT2AMEN1MAPTTP53
SCHEMBL5041435 0.85 AURKA (0.53) AURKAKMT2AMEN1MAPTTP53
SCHEMBL5045081 0.84 CCNE1 (0.42) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL12523205 0.82 AURKA (0.51) AURKAKMT2AMEN1MAPTTP53
SCHEMBL5046778 0.81 CCNE1 (0.45) AURKAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12455785 0.79 AURKA (0.55) AURKAKMT2AMEN1MAPTTP53
SCHEMBL5045023 0.78 AURKA (0.52) AURKAKMT2AMEN1MAPTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
CN-1267431-C Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-08-02 CN disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO 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 (2 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC AURKA 1/4885KMT2A 909/4885MEN1 1888/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB AURKA 1/4885KMT2A 790/4885MEN1 2422/4885

“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.