SCHEMBL3780375

SCHEMBL3780375

CC(NC(=O)O)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.60
PIK3CG P48736 16/20 0.60
PIK3CB P42338 15/20 0.60
PIK3CA P42336 14/20 0.60
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.41

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
SCHEMBL15226592 0.90 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAGAA
SCHEMBL2721618 0.88 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL3781566 0.86 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CAGAA
SCHEMBL15226563 0.84 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3CAGAA
SCHEMBL6127708 0.82 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAGAA
SCHEMBL15226524 0.82 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CAGAA
SCHEMBL2718717 0.82 PIK3CD (0.60) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL6127291 0.82 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3CAGAA
SCHEMBL8475288 0.78 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CAGAA
SCHEMBL2729736 0.78 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6

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 4 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
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 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.