SCHEMBL4012249

SCHEMBL4012249

COc1cccc(CCc2cc(N)n[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
BACE1 P56817 1/20 0.53
DAO P14920 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
AOC3 Q16853 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
DYRK1A Q13627 1/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
DHFR P00374 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL4012148 0.86 DHFR (0.46) TAAR1BACE1DAODHFR
SCHEMBL1922681 0.85 CYP19A1 (0.51) DAODYRK1AFGFR1FGFR2FGFR3
SCHEMBL4012153 0.84 BACE1 (0.41) TAAR1BACE1DAODHFRABCB1
SCHEMBL4016450 0.84 DYRK1A (0.58) TAAR1DAOSIGMAR1AOC3DYRK1A
SCHEMBL4013395 0.82 DAO (0.55) DAOCHRM2CHRM1CHRM3
SCHEMBL4013700 0.81 TAAR1 (0.50) TAAR1DAOIDO1
SCHEMBL3940159 0.80 DYRK1A (0.43) BACE1DYRK1AFGFR1FGFR2FGFR3
SCHEMBL4013353 0.79 KDM5A (0.41)
SCHEMBL27752733 0.79 NOS1 (0.40) TAAR1FGFR1FGFR2FGFR3
SCHEMBL3947954 0.79 TAAR1 (0.51) TAAR1DAOIDO1AGXT

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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO 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 TAAR1 3903/4885BACE1 718/4885DAO 4285/4885

“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.