SCHEMBL4433403

SCHEMBL4433403

COc1ccc(F)c(Nc2ccnc(Cl)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
APP P05067 1/20 0.42
EGFR P00533 3/20 0.42
LCK P06239 1/20 0.42
ERBB3 P21860 1/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK1 Q13464 1/20 0.41
P2RX7 Q99572 1/20 0.40
CDK4 P11802 3/20 0.39
CDK2 P24941 3/20 0.39
PIK3CA P42336 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
SCHEMBL3638254 0.85 LCK (0.56) MEN1LMNAMAPTKMT2ANPC1
SCHEMBL4820325 0.82 GAA (0.62) MEN1LMNAMAPTKMT2ANPC1
SCHEMBL5261001 0.82 CDK4 (0.54) APPCDK4CDK2PIK3CGCCNE1
SCHEMBL17683162 0.81 ROCK1 (0.47) MEN1LMNAMAPTKMT2ANPC1
SCHEMBL30459783 0.81 ROCK1 (0.47) MEN1LMNAMAPTKMT2ANPC1
SCHEMBL4441099 0.81 ALDH1A1 (0.44) MEN1LMNAMAPTKMT2ANPC1
SCHEMBL4441466 0.79 PTK2 (0.48) MEN1LMNAKMT2ANPC1ALDH1A1
SCHEMBL18083736 0.79 EGFR (0.47) MEN1LMNAMAPTKMT2ANPC1
SCHEMBL7767535 0.77 CDK2 (0.50) APPCDK4CDK2PIK3CGCCNE1
SCHEMBL4818944 0.77 MAPT (0.69) MEN1LMNAMAPTKMT2ANPC1

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 5 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

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 MEN1 2800/4885LMNA 4146/4885MAPT 3593/4885

“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.