SCHEMBL11900554

SCHEMBL11900554

CC[C@H](N)c1nc2ccc(F)cc2n1-c1cncc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.52
PIK3R1 P27986 7/20 0.52
PIK3CG P48736 7/20 0.52
PIK3CB P42338 6/20 0.52
PIK3CA P42336 6/20 0.52
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.39
RPS6KA5 O75582 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
BMI1 P35226 1/20 0.35

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
SCHEMBL12472541 1.00 PIK3CD (0.52) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901233 0.86 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2507360 0.86 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12473036 0.86 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901772 0.86 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
Hydrochloric Acid SCHEMBL12473096 0.85 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12472780 0.84 PIK3CD (0.50) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL11901774 0.84 PIK3CD (0.50) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12683083 0.84 PIK3CD (0.57) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL12197095 0.77 PIK3CD (0.48) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
EP-2670242-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF Genoa Pharmaceuticals, Inc. (US) 2013-12-11 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012106382-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 PIK3CD 2/4885PIK3R1 20/4885PIK3CG 10/4885

“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.