SCHEMBL2718142

SCHEMBL2718142

CNC(=O)c1c(-c2ccccc2)c(C(C)N)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 7/20 0.47
PIK3CD O00329 1/20 0.47
CYP3A4 P08684 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
TACR2 P21452 2/20 0.41
TSHR P16473 2/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2720439 0.86 PIK3CD (0.63) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL12564694 0.84 PIK3CD (0.42) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL10079336 0.84 DHODH (0.46) TACR3PIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL2719165 0.83 PIK3CD (0.43) TACR3PIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL3775458 0.79 MEN1 (0.44) TACR3PIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL3775455 0.79 LMNA (0.49) TACR3PIK3CDCYP3A4PIK3CAPIK3CB
SCHEMBL2718145 0.76 TACR3 (0.46) TACR3LMNASMN1; SMN2GAAMAPT
SCHEMBL2718301 0.76 PIK3CD (0.81) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3771905 0.76 PIK3CD (0.81) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2717057 0.76 PIK3CD (0.64) 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 6 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
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-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 TACR3 4197/4885PIK3CD 15/4885CYP3A4 3185/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 TACR3 4205/4885PIK3CD 16/4885CYP3A4 3267/4885

“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.