SCHEMBL5025993

SCHEMBL5025993

O=C(O)Cc1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
CCNE1 P24864 5/20 0.45
CDK2 P24941 5/20 0.45
CDK5 Q00535 5/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.40
NPC1 O15118 3/20 0.39
TP53 P04637 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
JAK2 O60674 1/20 0.38

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
SCHEMBL27543447 0.87 ALDH1A1 (0.51) SCDCCNE1CDK2CDK5ALDH1A1
SCHEMBL5026015 0.80 CCNE1 (0.44) SCDCCNE1CDK2CDK5ALDH1A1
SCHEMBL5025190 0.78 SMN1; SMN2 (0.42) CCNE1CDK2CDK5ALDH1A1TSHR
SCHEMBL5046778 0.78 CCNE1 (0.45) SCDCCNE1CDK2CDK5ALDH1A1
SCHEMBL5029591 0.78 KCNJ5 (0.47) CCNE1CDK2CDK5ALDH1A1LMNA
SCHEMBL5027736 0.78 AURKA (0.49) CCNE1CDK2CDK5LMNANPC1
SCHEMBL6335118 0.78 MAPK13 (0.56) SCDCCNE1CDK2CDK5ALDH1A1
SCHEMBL5045081 0.77 CCNE1 (0.42) CCNE1CDK2CDK5ALDH1A1TP53
SCHEMBL5027769 0.76 TSHR (0.45) CCNE1CDK2CDK5TSHRLMNA
SCHEMBL13467941 0.75 CCNE1 (0.56) CCNE1CDK2CDK5ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
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
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO 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 (3 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 SCD 4699/4885CCNE1 1042/4885CDK2 138/4885
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC SCD 4655/4885CCNE1 199/4885CDK2 47/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB SCD 4180/4885CCNE1 106/4885CDK2 28/4885

“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.