SCHEMBL3784083

SCHEMBL3784083

CC(NC(=O)O)c1nc2ccc(F)cc2c(CO)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.47
GAA P10253 2/20 0.47
PIK3CD O00329 11/20 0.46
PIK3CB P42338 11/20 0.46
PIK3CG P48736 11/20 0.46
PIK3CA P42336 9/20 0.46
CYP3A4 P08684 4/20 0.46
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PRNP P04156 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G2A P14555 1/20 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
SCHEMBL3771864 0.88 PIK3CD (0.47) DHODHGAAPIK3CDPIK3CBPIK3CG
SCHEMBL3784614 0.87 PIK3CD (0.44) DHODHGAAPIK3CDPIK3CBPIK3CG
SCHEMBL2717982 0.83 DHODH (0.49) DHODHGAAPIK3CDPIK3CBPIK3CG
SCHEMBL15226592 0.77 PIK3CD (0.58) GAAPIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL3777054 0.77 PIK3CD (0.42) DHODHGAAPIK3CDPIK3CBPIK3CG
SCHEMBL3782641 0.76 PIK3CD (0.43) DHODHGAAPIK3CDPIK3CBPIK3CG
SCHEMBL13063146 0.75 PIK3CD (0.46) DHODHGAAPIK3CDPIK3CBPIK3CG
SCHEMBL2720732 0.75 PIK3CD (0.81) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2717791 0.75 PIK3CD (0.41) DHODHGAAPIK3CDPIK3CBPIK3CG
SCHEMBL2719948 0.75 ALDH1A1 (0.47) DHODHGAAMEN1HPGDKMT2A

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 DHODH 3116/4885GAA 2646/4885PIK3CD 15/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 DHODH 3134/4885GAA 2664/4885PIK3CD 16/4885

“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.