SCHEMBL3940447

SCHEMBL3940447

CN(C)C(=O)c1cccc(CCc2cc(N)n[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.39
ATR Q13535 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAP4K1 Q92918 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PARP1 P09874 3/20 0.38
FYN P06241 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
JAK3 P52333 1/20 0.37
ERN1 O75460 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL4013700 0.76 TAAR1 (0.50)
SCHEMBL27752733 0.74 NOS1 (0.40) ATRCYP3A4
SCHEMBL3947954 0.74 TAAR1 (0.51)
SCHEMBL3932643 0.73 KDR (0.42) PARP1
SCHEMBL7816351 0.73 CYP4F2 (0.61) MEN1KMT2AKIF11ATRCYP11B1
SCHEMBL10268514 0.73 KMT2A (0.50) MEN1KMT2AKIF11CYP3A4MAP4K1
SCHEMBL3947733 0.73 COMT (0.49)
SCHEMBL27484385 0.72 KMT2A (0.49) MEN1KMT2AKIF11FAAHMGLL
SCHEMBL929805 0.72 LOXL2 (0.60) DRD2MEN1KMT2AKIF11FAAH
SCHEMBL9387193 0.71 CYP4F2 (0.49) MEN1KMT2A

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 DRD2 4059/4885MEN1 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.