SCHEMBL5960698

SCHEMBL5960698

COc1cc(-c2ccnc(C)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
WDR5 P61964 1/20 0.39
WNT3A P56704 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 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
SCHEMBL2684045 0.83 PTGS2 (0.48) DYRK1AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2686211 0.82 MAPT (0.47) MEN1KMT2AHTTLMNAMAPT
SCHEMBL2686352 0.81 CHRNB2 (0.55) DYRK1AMAPT
SCHEMBL2685194 0.80 CYP19A1 (0.43) DYRK1AMEN1KMT2AHTTMAPT
SCHEMBL2684592 0.80 CYP19A1 (0.43) DYRK1AMEN1KMT2AHTTLMNA
SCHEMBL9820237 0.78 PDE4D (0.52) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL2627195 0.77 DYRK1A (0.53) DYRK1AMEN1KMT2AHTTLMNA
SCHEMBL3055529 0.76 CHRNB4 (0.52) MEN1KMT2AHTTLMNAMAPT
SCHEMBL31729788 0.75 DYRK1A (0.63) DYRK1APIK3CBWDR5WNT3AROCK2
SCHEMBL1689880 0.74 ERN1 (0.43) MEN1KMT2AHTTLMNAMAPT

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
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO 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 3859/4885MEN1 3254/4885KMT2A 2444/4885

“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.