SCHEMBL11901147

SCHEMBL11901147

C[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1nc2ccc(F)cc2n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 12/20 0.53
▸ PIK3CG P48736 12/20 0.53
▸ PIK3R1 P27986 11/20 0.53
▸ PIK3CB P42338 10/20 0.53
▸ PIK3CA P42336 9/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP2C19 P33261 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 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
SCHEMBL11900630 0.93 PIK3CD (0.53) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11900842 0.91 NPC1 (0.50) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL12885795 0.91 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901795 0.85 NPC1 (0.49) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901800 0.85 NPC1 (0.51) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11902087 0.85 NPC1 (0.48) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901167 0.83 NPC1 (0.47) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901170 0.83 NPC1 (0.47) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11900905 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2CYP2C19YTHDC1
SCHEMBL23126564 0.83 PIK3CB (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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 10/4885PIK3R1 20/4885

“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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