SCHEMBL3775458

SCHEMBL3775458

CNC(=O)c1c(-c2ccccc2)c(C(C)NC(=O)OC(C)(C)C)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CD O00329 2/20 0.43
CYP3A4 P08684 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
TACR3 P29371 4/20 0.43
TACR2 P21452 2/20 0.41
LIPG Q9Y5X9 1/20 0.40
ACACB O00763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 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
SCHEMBL2719664 0.90 LMNA (0.48) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3777865 0.88 PIK3CD (0.57) GAAPIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL1995280 0.87 CYP3A4 (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL9952525 0.87 DHODH (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3778054 0.86 PIK3CD (0.40) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3776313 0.81 PIK3CD (0.60) GAAPIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL28129300 0.80 KMT2A (0.53) MEN1NPC1GAARAB9AKMT2A
SCHEMBL1989302 0.80 KDM4E (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3784892 0.79 PIK3CD (0.51) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2719205 0.79 PIK3CD (0.51) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG

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 10 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-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

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 MEN1 1596/4885NPC1 4514/4885GAA 2646/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 MEN1 1636/4885NPC1 4505/4885GAA 2664/4885

“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.