SCHEMBL3780888

SCHEMBL3780888

CNC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)CC1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.47
PIK3CD O00329 1/20 0.40
ROCK2 O75116 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
ROCK1 Q13464 1/20 0.36
CHRM4 P08173 1/20 0.35

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
SCHEMBL2713040 1.00 PIK3CA (0.47) PIK3CAPIK3CDROCK2LIMK1LIMK2
SCHEMBL2713678 1.00 PIK3CA (0.47) PIK3CAPIK3CDROCK2LIMK1LIMK2
SCHEMBL2711253 0.93 PIK3CA (0.42) PIK3CAPIK3CD
SCHEMBL2711899 0.93 PIK3CA (0.42) PIK3CAPIK3CD
SCHEMBL2712574 0.93 PIK3CA (0.42) PIK3CAPIK3CD
SCHEMBL3778752 0.91 PIK3CA (0.47) PIK3CAPIK3CD
SCHEMBL3777815 0.91 PIK3CA (0.47) PIK3CAPIK3CD
SCHEMBL3777817 0.91 PIK3CA (0.47) PIK3CAPIK3CD
SCHEMBL3775860 0.89 PIK3CA (0.48) PIK3CAPIK3CD
SCHEMBL3784844 0.89 PIK3CA (0.48) PIK3CAPIK3CD

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-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 29/4885PIK3CD 14/4885ROCK2 622/4885

“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.