SCHEMBL2717536

SCHEMBL2717536

CCc1nc2ccc(F)cc2c(C(N)=O)c1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
SQOR Q9Y6N5 1/20 0.47
DHODH Q02127 6/20 0.47
PIK3CD O00329 5/20 0.46
PIK3CA P42336 5/20 0.46
PIK3CB P42338 5/20 0.46
PIK3CG P48736 5/20 0.46
CYP3A4 P08684 1/20 0.42
PLA2G2A P14555 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CBFB Q13951 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
SCHEMBL2717882 0.91 DHODH (0.54) PDE10ADHODHPIK3CDPIK3CAPIK3CB
SCHEMBL2718890 0.87 PLA2G2A (0.55) PDE10ASQORDHODHPIK3CDPIK3CA
SCHEMBL2718336 0.81 PIK3CD (0.48) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20081373 0.80 FABP3 (0.44) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2720107 0.79 PIK3CD (0.57) PDE10ADHODHPIK3CDPIK3CAPIK3CB
SCHEMBL2720602 0.78 PIK3CD (0.53) PDE10ADHODHPIK3CDPIK3CAPIK3CB
SCHEMBL2718205 0.77 PIK3CD (0.55) SQORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12974299 0.76 DHODH (0.65) PDE10ADHODHFABP3FABP4FABP5
SCHEMBL2718187 0.74 PIK3CD (0.48) PDE10ADHODHPIK3CDPIK3CAPIK3CB
SCHEMBL2717207 0.73 SMYD3 (0.44) PIK3CDPIK3CAPIK3CBPIK3CG

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
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
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
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 (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 PDE10A 3201/4885SQOR 3318/4885DHODH 3116/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PDE10A 3271/4885SQOR 3376/4885DHODH 3134/4885

“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.