SCHEMBL16240624

SCHEMBL16240624

NC(=O)N(CC(CO)NC(=O)c1cnc(N)c2cc(-c3cccc(F)c3)ccc12)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 17/20 0.60
MAP4K3 Q8IVH8 1/20 0.40
CHEK2 O96017 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL15161422 0.86 MAP4K4 (0.67) MAP4K4CHEK2MAPK1
SCHEMBL18595984 0.81 MAP4K4 (0.66) MAP4K4MAP4K3CHEK2MAPK1
SCHEMBL15161359 0.81 MAP4K4 (0.71) MAP4K4
SCHEMBL15161328 0.78 MAP4K4 (0.61) MAP4K4CHEK2MAPK1
SCHEMBL15161394 0.76 MAP4K4 (0.69) MAP4K4CHEK2
SCHEMBL15161326 0.76 MAP4K4 (0.69) MAP4K4CHEK2
SCHEMBL20968874 0.76 MAP4K4 (0.69) MAP4K4CHEK2
SCHEMBL15161325 0.76 MAP4K4 (0.69) MAP4K4CHEK2
SCHEMBL15161444 0.76 MAP4K4 (1.00) MAP4K4MAP4K3
SCHEMBL15161415 0.75 MAP4K4 (0.73) MAP4K4MAP4K3

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-2809652-B1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
US-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 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-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 MAP4K4 904/4885MAP4K3 1037/4885CHEK2 1099/4885

“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.