SCHEMBL17857296

SCHEMBL17857296

Cc1c(Cc2c(CO[Si](C)(C)C(C)(C)C)nc3c(Br)cc(N4CCOCC4)nn23)cccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 18/20 0.64
PIK3CD O00329 18/20 0.64
MTOR P42345 15/20 0.64
PIK3CG P48736 12/20 0.64
PIK3CB P42338 9/20 0.63
PIK3CA P42336 5/20 0.61

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
SCHEMBL19913028 0.92 PIK3C2B (0.66) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL17858754 0.91 PIK3CD (0.78) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760540 0.91 PIK3C2B (0.64) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760580 0.89 PIK3C2B (0.61) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760564 0.88 PIK3C2B (0.80) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760546 0.87 PIK3CD (0.81) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760563 0.87 PIK3CD (0.70) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL17857185 0.86 PIK3C2B (0.57) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL19760554 0.86 PIK3CD (0.80) PIK3C2BPIK3CDMTORPIK3CGPIK3CB
SCHEMBL17858660 0.86 PIK3C2B (0.58) PIK3C2BPIK3CDMTORPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-20180057496-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN-CILAG (FR) 2018-03-01 US disclosed
US-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-04 US disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed
WO-2016097359-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 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-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS PIK3CB, PIK3CD, PIK3CA PIK3C2B 6/4885PIK3CD 2/4885MTOR 35/4885
US-20180057496-A1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS PIK3CB, PIK3CD, PIK3CA PIK3C2B 5/4885PIK3CD 2/4885MTOR 34/4885

“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.