SCHEMBL3782575

SCHEMBL3782575

N#Cc1c(N)ncnc1NCc1nc2c(F)cccc2cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.41
PIK3CG P48736 12/20 0.41
PIK3CB P42338 9/20 0.41
PIK3CA P42336 8/20 0.41
LRRK2 Q5S007 1/20 0.41
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
PIK3R1 P27986 1/20 0.39
CYP3A4 P08684 3/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 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
SCHEMBL2721192 0.87 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CALRRK2
SCHEMBL2716919 0.86 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CALRRK2
SCHEMBL2730811 0.84 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CALRRK2
SCHEMBL2718907 0.80 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CAADORA2A
SCHEMBL2719469 0.78 PIK3CD (0.42) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1694753 0.78 PIK3R2 (0.39) PIK3CDPIK3CGPIK3CBPIK3CALRRK2
SCHEMBL2719844 0.76 KDM4E (0.40) PIK3CDPIK3CGPIK3CBPIK3CALRRK2
SCHEMBL13062912 0.75 PIK3CD (0.41) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2717766 0.75 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2718036 0.75 PIK3CD (0.46) PIK3CDPIK3CGPIK3CBPIK3CALRRK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US claimed
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 claimed
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 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.