SCHEMBL1992815

SCHEMBL1992815

CC(NC(=O)O)C(=O)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PTPRA P18433 1/20 0.46
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1990892 0.81 CYP1A2 (0.44) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL1990894 0.81 CYP1A2 (0.44) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL20330203 0.81 POLB (0.48) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL9911543 0.80 CYP1A2 (0.54) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL7336481 0.78 PTPRA (0.57) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL7481222 0.78 PTPRA (0.57) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL6122738 0.78 HPGD (0.47) SMN1; SMN2POLBCYP1A2TSHRALDH1A1
SCHEMBL834974 0.77 POLB (0.50) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL4473658 0.77 POLB (0.50) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL1991963 0.77 POLB (0.50) POLBCYP1A2TSHRALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 EP disclosed
US-8765768-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
EP-2640715-A1 QUINOLINE DERIVATIVES AS PIK3 INHIBITORS Amgen Inc. (US) 2013-09-25 EP disclosed
US-20130231352-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-09-05 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
WO-2012068343-A1 QUINOLINE DERIVATIVES AS PIK3 INHIBITORS AMGEN INC. (US) 2012-05-24 WO disclosed
EP-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (5 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KEAP1 2702/4885NFE2L2 1490/4885SMN1; SMN2 983/4885
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KEAP1 2254/4885NFE2L2 1613/4885SMN1; SMN2 912/4885
US-20130231352-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, SSB KEAP1 1482/4885NFE2L2 841/4885SMN1; SMN2 239/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KEAP1 2667/4885NFE2L2 1463/4885SMN1; SMN2 989/4885
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KEAP1 2667/4885NFE2L2 1463/4885SMN1; SMN2 989/4885

“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.