SCHEMBL2717679

SCHEMBL2717679

CN(c1nc2cccc(F)c2cc1-c1ccccc1)c1ncnc(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.43
PIK3CG P48736 15/20 0.43
PIK3CB P42338 13/20 0.43
PIK3CA P42336 12/20 0.43
CYP3A4 P08684 4/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
LRRK2 Q5S007 1/20 0.39
PIK3R1 P27986 2/20 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
SCHEMBL2718906 0.93 MAP4K4 (0.44) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2719467 0.92 PIK3CD (0.40) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2717762 0.89 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2719844 0.86 KDM4E (0.40) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2717205 0.85 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL1694893 0.81 PIK3CD (0.35) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2716919 0.76 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2718287 0.74 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CAKDM4E
SCHEMBL2010841 0.71 KDM4E (0.39) PIK3CDPIK3CGPIK3CBPIK3CAKDM4E
SCHEMBL2730809 0.71 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAALDH1A1

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 PIK3CD 15/4885PIK3CG 53/4885PIK3CB 35/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CB 35/4885

“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.