SCHEMBL19736643

SCHEMBL19736643

Cc1c(Cc2c(CO)nc3ccc(N4CCOCC4)cn23)cccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2B O00750 17/20 0.58
▸ PIK3CD O00329 15/20 0.58
▸ MTOR P42345 12/20 0.58
▸ PIK3CB P42338 8/20 0.58
▸ PIK3CA P42336 3/20 0.56
▸ PIK3CG P48736 11/20 0.55

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
SCHEMBL19736874 0.92 PIK3CD (0.58) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736823 0.91 PIK3CD (0.49) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736653 0.89 PIK3CD (0.62) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736739 0.89 PIK3CD (0.56) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736652 0.88 PIK3C2B (0.52) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736654 0.88 PIK3CD (0.57) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736952 0.87 PIK3C2B (0.48) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736740 0.87 PIK3C2B (0.47) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736744 0.86 PIK3CD (0.62) PIK3C2BPIK3CDMTORPIK3CBPIK3CA
SCHEMBL19736822 0.86 PIK3CD (0.45) PIK3C2BPIK3CDMTORPIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472160-B1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 — — EP disclosed
US-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-19 — — US disclosed
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-06-06 — — US disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 — — WO 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 (2 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-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors PIK3CA, PIK3CD, PIK3CB PIK3C2B 7/4885PIK3CD 2/4885MTOR 28/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3C2B 7/4885PIK3CD 2/4885MTOR 28/4885

“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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