SCHEMBL4433335

SCHEMBL4433335

OCc1ccc(F)c(Nc2ccnc(Cl)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
AURKA O14965 4/20 0.37
EPHB4 P54760 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDK4 P11802 3/20 0.36
CDK2 P24941 3/20 0.36
CCNE1 P24864 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.35
SYK P43405 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
GRM5 P41594 1/20 0.34
TYK2 P29597 1/20 0.33

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
SCHEMBL3631100 0.84 MAPK14 (0.45) RECQLEPHB4MAPK10SYK
SCHEMBL5261001 0.79 CDK4 (0.54) AURKACDK4CDK2CCNE1MAPK8
SCHEMBL5397901 0.77 CDK2 (0.47) AURKACDK4CDK2CCNE1MAPK8
SCHEMBL4433403 0.76 MEN1 (0.43) CDK4CDK2CCNE1
SCHEMBL12813310 0.75 AURKA (0.61) AURKAEPHB4CDK4CDK2MAPK8
SCHEMBL4430635 0.75 CYP1A2 (0.43) AURKAEPHB4CYP1A2CYP3A4CYP2C9
SCHEMBL7767535 0.75 CDK2 (0.50) AURKACDK4CDK2CCNE1MAPK8
SCHEMBL4442335 0.73 AURKA (0.37) AURKAEPHB4CDK2MAPK8SYK
SCHEMBL1172235 0.73 EPHB4 (0.40) EPHB4
SCHEMBL5391046 0.73 NPC1 (0.52) AURKAMAPK10SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 RECQL 221/4885AURKA 77/4885EPHB4 1/4885

“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.