SCHEMBL1018016

SCHEMBL1018016

CN(C(=O)C1CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
ATM Q13315 2/20 0.43
FASN P49327 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL3630547 0.85 FASN (0.52) NAMPTALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL11002701 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL27634766 0.79 SCN4A (0.53) NAMPTALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL594609 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL594608 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL594610 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL13135281 0.78 FASN (0.48) FASNLMNAHTT
SCHEMBL1532324 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL2103568 0.78 MAPK1 (0.55) ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1
SCHEMBL16994743 0.78 PDK2 (0.58) ALDH1A1SMN1; SMN2TSHRGAAFASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-8975250-B2 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI (FR) 2015-03-10 US disclosed
EP-2521726-B1 5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASES INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SANOFI SA (FR) 2013-12-18 EP disclosed
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 CN disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
EP-2521726-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-14 EP disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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 (3 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 NAMPT 3241/4885ALDH1A1 3049/4885SMN1; SMN2 4561/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 NAMPT 3241/4885ALDH1A1 3049/4885SMN1; SMN2 4561/4885
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 NAMPT 1242/4885ALDH1A1 2432/4885SMN1; SMN2 3316/4885

“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.