SCHEMBL3783138

SCHEMBL3783138

C[C@H](N)c1nc2ccc(F)cc2c(C(=O)NCCO)c1-c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.58
PIK3CB P42338 15/20 0.58
PIK3CG P48736 15/20 0.58
PIK3CA P42336 13/20 0.58
CYP2D6 P10635 1/20 0.44
PDE10A Q9Y233 1/20 0.43
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
KMT2A Q03164 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
SCHEMBL2718183 1.00 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2720104 0.91 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL3776243 0.91 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2720600 0.88 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2717204 0.85 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL3784291 0.85 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL3785526 0.84 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL3785529 0.84 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6
SCHEMBL2718187 0.82 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPDE10A
SCHEMBL2731781 0.81 PIK3CD (0.88) PIK3CDPIK3CBPIK3CGPIK3CACYP2D6

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

“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.