SCHEMBL17857356

SCHEMBL17857356

Cc1c(Cc2c(CO)nc3c(C(=O)O)cc(N4CCOCC4)nn23)cccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 1.00
PIK3C2B O00750 17/20 1.00
MTOR P42345 15/20 1.00
PIK3CB P42338 7/20 1.00
PIK3CA P42336 3/20 1.00
PIK3CG P48736 14/20 0.87

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
SCHEMBL17857156 0.93 PIK3C2B (1.00) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL17857384 0.91 PIK3CD (1.00) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL21386248 0.89 PIK3CD (0.81) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL19913029 0.89 PIK3CD (0.84) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL19919428 0.88 PIK3CD (0.78) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL19919589 0.88 PIK3CD (0.78) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL17858662 0.88 PIK3CD (0.81) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL19760546 0.88 PIK3CD (0.81) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL17857188 0.88 PIK3CD (1.00) PIK3CDPIK3C2BMTORPIK3CBPIK3CA
SCHEMBL17857390 0.86 PIK3C2B (1.00) PIK3CDPIK3C2BMTORPIK3CBPIK3CA

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 3 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-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

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-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS PIK3CB, PIK3CD, PIK3CA PIK3CD 2/4885PIK3C2B 6/4885MTOR 35/4885

“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.