SCHEMBL5046778

SCHEMBL5046778

O=C(Cc1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1)Nc1cccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
CDK5 Q00535 4/20 0.45
AURKA O14965 1/20 0.40
SCD O00767 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
ABL1 P00519 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKT1 P31749 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5045081 0.84 CCNE1 (0.42) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5025190 0.81 SMN1; SMN2 (0.42) CCNE1CDK2CDK5ALDH1A1LMNA
SCHEMBL5027736 0.81 AURKA (0.49) CCNE1CDK2CDK5AURKALMNA
SCHEMBL5026015 0.81 CCNE1 (0.44) CCNE1CDK2CDK5AURKASCD
SCHEMBL5027769 0.79 TSHR (0.45) CCNE1CDK2CDK5AURKALMNA
SCHEMBL5025993 0.78 SCD (0.45) CCNE1CDK2CDK5SCDALDH1A1
SCHEMBL5029591 0.77 KCNJ5 (0.47) CCNE1CDK2CDK5AURKAALDH1A1
SCHEMBL27543447 0.74 ALDH1A1 (0.51) CCNE1CDK2CDK5SCDALDH1A1
SCHEMBL5042192 0.72 CCNE1 (0.46) CCNE1CDK2CDK5SCDALDH1A1
SCHEMBL6470594 0.70 LMNA (0.44) ALDH1A1LMNAGAAL3MBTL1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 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 (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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 CCNE1 1042/4885CDK2 138/4885CDK5 393/4885

“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.