SCHEMBL11902080

SCHEMBL11902080

CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2n1-c1cncc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 19/20 0.55
▸ PIK3CG P48736 12/20 0.55
▸ PIK3CB P42338 11/20 0.55
▸ PIK3CA P42336 10/20 0.55
▸ PIK3R1 P27986 9/20 0.55
▸ PIK3R2 O00459 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PIK3C3 Q8NEB9 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
SCHEMBL11902180 0.90 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2507140 0.89 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2508294 0.89 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL2502928 0.89 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL11900813 0.86 PIK3CD (0.43) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL11902213 0.83 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL11900707 0.82 PIK3CD (0.80) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL11901142 0.80 PIK3CG (0.49) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL16677876 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL16677822 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP claimed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO claimed
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
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
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 2/4885PIK3CG 10/4885PIK3CB 6/4885

“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.

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