SCHEMBL11902218

SCHEMBL11902218

C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)c(C(=O)N3CCOCC3)c2n1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.39
▸ PIK3CG P48736 4/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3R2 O00459 4/20 0.35
▸ SOS1 Q07889 3/20 0.35
▸ JAK1 P23458 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL12683053 0.87 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11900807 0.86 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11901094 0.86 PIK3CD (0.44) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11901060 0.86 PIK3CD (0.44) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11901829 0.86 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11902468 0.84 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11901980 0.80 SMN1; SMN2 (0.39) PIK3CDPIK3CBJAK1JAK2TYK2
SCHEMBL11901410 0.78 PIK3CD (0.44) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL12683227 0.77 KDM4E (0.37) JAK1JAK2TYK2JAK3
SCHEMBL11902220 0.76 SOS1 (0.33) PIK3CDPIK3CAPIK3R1SOS1

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-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
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO 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 10/4885PIK3CA 1/4885

“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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