SCHEMBL3775682

SCHEMBL3775682

CC(NC(=O)OC(C)(C)C)c1nc2cccc(Cl)c2cc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
S1PR3 Q99500 1/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
JAK2 O60674 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TACR3 P29371 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL20061355 1.00 SCN9A (0.40) SCN9ASCN10AS1PR3CYP3A4KDM4E
SCHEMBL3782932 0.87 MAPK1 (0.41) CYP3A4KDM4EKMT2AALDH1A1JAK2
SCHEMBL3776929 0.86 PIK3CD (0.39) KDM4EKMT2AALDH1A1JAK2MEN1
SCHEMBL2730021 0.81 PIK3CD (0.37) S1PR3KDM4EKMT2AALDH1A1JAK2
SCHEMBL3772446 0.80 PIK3CD (0.52) SCN9AAAK1
SCHEMBL20061338 0.80 PIK3CD (0.52) SCN9AAAK1
SCHEMBL2721618 0.80 PIK3CD (0.54) SCN9ASCN10AS1PR3CYP3A4KDM4E
SCHEMBL2730015 0.79 BRD4 (0.37) SCN9AS1PR3KDM4EKMT2AALDH1A1
SCHEMBL1992065 0.79 KDM4E (0.39) SCN9ASCN10ACYP3A4KDM4EKMT2A
SCHEMBL2719465 0.79 SMN1; SMN2 (0.44) SCN9ACYP3A4KDM4EKMT2AMEN1

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
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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SCN9A 2157/4885SCN10A 3112/4885S1PR3 1307/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 SCN9A 2216/4885SCN10A 3132/4885S1PR3 1306/4885

“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.