SCHEMBL2504520

SCHEMBL2504520

CC(N)c1nc2ccc(F)cc2n1-c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.59
PIK3R1 P27986 8/20 0.59
PIK3CG P48736 8/20 0.59
PIK3CB P42338 7/20 0.59
PIK3CA P42336 6/20 0.59
CYP11B2 P19099 8/20 0.54
CYP11B1 P15538 5/20 0.54
CYP1A2 P05177 1/20 0.43
METAP2 P50579 1/20 0.43
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL12683042 1.00 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901977 1.00 PIK3CD (0.59) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11902222 0.91 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12471676 0.91 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12473036 0.87 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901772 0.87 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2505813 0.86 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12473152 0.86 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2507360 0.85 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901233 0.85 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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 (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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3R1 48/4885PIK3CG 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.