SCHEMBL4013395

SCHEMBL4013395

Nc1cc(CCc2cccc(OC(F)(F)F)c2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.55
MPO P05164 1/20 0.49
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
XDH P47989 1/20 0.41
CETP P11597 1/20 0.40
ROCK1 Q13464 2/20 0.39
CNR1 P21554 1/20 0.39
ROCK2 O75116 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
AKT1 P31749 2/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
DCLK1 O15075 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
RPS6KA5 O75582 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
SCHEMBL4012249 0.82 TAAR1 (0.54) DAOCHRM2CHRM1CHRM3
SCHEMBL4012148 0.80 DHFR (0.46) DAOMAP4K4
SCHEMBL3947954 0.79 TAAR1 (0.51) DAOMPO
SCHEMBL4012153 0.78 BACE1 (0.41) DAOMPO
SCHEMBL4013353 0.76 KDM5A (0.41) ROCK2AKT1KDM5AKDM4C
SCHEMBL27752733 0.76 NOS1 (0.40)
SCHEMBL3947733 0.75 COMT (0.49) DAO
SCHEMBL2741587 0.75 DAO (0.56) DAO
SCHEMBL4012117 0.75 TAAR1 (0.50)
SCHEMBL4013700 0.75 TAAR1 (0.50) DAOMPO

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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 DAO 4285/4885MPO 733/4885CHRM2 2687/4885

“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.