SCHEMBL4012153

SCHEMBL4012153

Nc1cc(CCc2cccc(Oc3ncccn3)c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
DAO P14920 1/20 0.37
ABCB1 P08183 3/20 0.37
NR3C2 P08235 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTR1A P08908 2/20 0.36
DHFR P00374 1/20 0.36
DRD2 P14416 1/20 0.36
MPO P05164 1/20 0.35
RAB9A P51151 1/20 0.35
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34

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
SCHEMBL28944556 0.88 MEN1 (0.40) MEN1KMT2AAPAF1FGFR1DHFR
SCHEMBL4012249 0.84 TAAR1 (0.54) BACE1FGFR1FGFR2FGFR3DAO
SCHEMBL4012148 0.79 DHFR (0.46) BACE1DAOTAAR1DHFRRAB9A
SCHEMBL4013395 0.78 DAO (0.55) DAOMPO
SCHEMBL4013353 0.78 KDM5A (0.41)
SCHEMBL6199971 0.76 TAAR1 (0.62) MEN1KMT2AAPAF1TAAR1DRD2
SCHEMBL3947954 0.75 TAAR1 (0.51) DAONR3C2TAAR1MPORAB9A
SCHEMBL27752733 0.75 NOS1 (0.40) FGFR1FGFR2FGFR3TAAR1RAB9A
SCHEMBL3947733 0.74 COMT (0.49) BACE1DAOTAAR1RAB9A
SCHEMBL4012117 0.74 TAAR1 (0.50) BACE1MEN1KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BACE1 718/4885MEN1 1408/4885KMT2A 4680/4885

“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.