SCHEMBL1990894

SCHEMBL1990894

C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CTSS P25774 3/20 0.40
ATM Q13315 2/20 0.40
CTSK P43235 2/20 0.40
REN P00797 1/20 0.40
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
ACE P12821 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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 1.00 CYP1A2 (0.44) CYP1A2KDM4EPOLBALDH1A1CTSS
SCHEMBL6652831 0.86 CYP1A2 (0.40) CYP1A2POLBALDH1A1CTSSATM
SCHEMBL6652835 0.86 CYP1A2 (0.40) CYP1A2POLBALDH1A1CTSSATM
SCHEMBL25886341 0.84 NPC1 (0.50) CYP1A2KDM4EPOLBCTSSCTSK
SCHEMBL30850109 0.82 POLB (0.46) CYP1A2POLBALDH1A1CTSSATM
SCHEMBL1992815 0.81 KEAP1 (0.47) CYP1A2KDM4EPOLBALDH1A1ATM
SCHEMBL10768949 0.81 CYP1A2 (0.51) CYP1A2POLBALDH1A1CTSSATM
SCHEMBL8213215 0.80 ALDH1A1 (0.52) KDM4EALDH1A1CTSSCTSKREN
SCHEMBL1991941 0.80 ATM (0.53) CTSSATMCTSKACEKMT2A
SCHEMBL835353 0.80 ATM (0.53) CTSSATMCTSKACEKMT2A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312175-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2018-04-25 EP disclosed
US-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 US disclosed
US-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 US disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
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
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 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
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-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US 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
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
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US 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
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 (4 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK CYP1A2 2655/4885KDM4E 3174/4885POLB 3532/4885
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CYP1A2 2339/4885KDM4E 1810/4885POLB 1269/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CYP1A2 2390/4885KDM4E 1806/4885POLB 1278/4885
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CYP1A2 2390/4885KDM4E 1806/4885POLB 1278/4885

“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.