SCHEMBL4011908

SCHEMBL4011908

Nc1cc(CCc2cccc(N3CCOCC3)c2)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.52
FGFR1 P11362 4/20 0.45
CDC7 O00311 1/20 0.45
FGFR2 P21802 3/20 0.44
FGFR3 P22607 2/20 0.44
KDR P35968 2/20 0.44
CDK2 P24941 1/20 0.41
DHFR P00374 1/20 0.41
KIF11 P52732 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
LRRK2 Q5S007 2/20 0.40
PIK3CA P42336 2/20 0.39
KMO O15229 1/20 0.39
PLK4 O00444 1/20 0.39
AKT1 P31749 1/20 0.39
MTOR P42345 1/20 0.39
LGMN Q99538 1/20 0.39
RPS6KA3 P51812 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
SCHEMBL4010774 0.79 AGXT (0.60) AGXTCDC7CDK2DHFRPIK3CA
SCHEMBL13725027 0.76 AGXT (0.66) AGXTDHFRKMOLGMN
SCHEMBL8189516 0.73 AGXT (0.61) AGXTKMO
SCHEMBL425652 0.73 AGXT (0.66) AGXTKMOLGMN
SCHEMBL27752733 0.73 NOS1 (0.40) FGFR1FGFR2FGFR3NOS3NOS1
SCHEMBL3947954 0.73 TAAR1 (0.51) AGXTNOS3NOS1
SCHEMBL108136 0.72 AGXT (0.69) AGXTDHFRKMOLGMN
SCHEMBL3947733 0.72 COMT (0.49)
Hydrochloric Acid SCHEMBL5673049 0.72 AGXT (0.60) AGXTKMO
SCHEMBL4013700 0.72 TAAR1 (0.50) NOS1

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 AGXT 707/4885FGFR1 1428/4885CDC7 3492/4885

“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.