SCHEMBL890490

SCHEMBL890490

CC(NC(=O)c1ccccc1C(=O)O)c1nc2ccc(F)cn2c(=O)c1-c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.54
TRPA1 O75762 1/20 0.41
GAA P10253 1/20 0.38
PDE2A O00408 1/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL21772584 0.82 PIK3CD (0.63) PIK3CDTRPA1
SCHEMBL21772442 0.80 PIK3CD (0.58) PIK3CDTRPA1
SCHEMBL890508 0.77 PIK3CD (0.58) PIK3CDTRPA1
SCHEMBL21772469 0.72 PIK3CD (0.49) PIK3CDTRPA1GAA
SCHEMBL21772784 0.71 PIK3CD (0.49) PIK3CDTRPA1
SCHEMBL890424 0.71 PIK3CD (0.78) PIK3CD
SCHEMBL890393 0.71 PIK3CD (0.78) PIK3CD
SCHEMBL890627 0.71 PIK3CD (0.78) PIK3CD
SCHEMBL15307364 0.71 PIK3CD (0.49) PIK3CDGAA
SCHEMBL21772398 0.70 PIK3CD (0.65) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151735-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 (1 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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CD 24/4885TRPA1 2419/4885GAA 2673/4885

“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.