SCHEMBL6032181

SCHEMBL6032181

CCOc1cc(N)cc(-c2ccnc(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAP4K4 O95819 2/20 0.41
ADORA2A P29274 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CB P42338 1/20 0.40
S1PR1 P21453 2/20 0.39
GRM2 Q14416 1/20 0.38

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
SCHEMBL31729788 0.84 DYRK1A (0.63) DYRK1ACYP3A4MAP4K4PIK3CBCCNC
SCHEMBL2683974 0.82 NTRK1 (0.53) DYRK1AMAP4K4MAPT
SCHEMBL2684619 0.82 DYRK1A (0.52) DYRK1AMAP4K4KDM4EMEN1KMT2A
SCHEMBL2687451 0.80 DYRK1A (0.43) DYRK1APIK3CBCCNCCDK8
SCHEMBL31729856 0.79 DYRK1A (0.45) DYRK1AMAP4K4PIK3CBGRM2CCNC
SCHEMBL3786792 0.78 CYP3A4 (0.68) TP53CYP3A4MAP4K4TSHRTDP1
SCHEMBL31729800 0.77 MAP4K4 (0.47) DYRK1AMAP4K4TSHRKDM4EMEN1
SCHEMBL3790251 0.77 TDP1 (0.59) TP53CYP3A4MAP4K4TSHRTDP1
SCHEMBL3789202 0.76 TP53 (0.55) TP53CYP3A4MAP4K4TSHRTDP1
SCHEMBL31729858 0.74 CYP3A4 (0.46) DYRK1ATP53CYP3A4MAP4K4PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A DYRK1A 3859/4885TP53 4135/4885CYP3A4 959/4885

“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.