SCHEMBL7696154

SCHEMBL7696154

CN(C)CCNCc1ccc(-c2ccc3c(Nc4ccc(Cc5ccoc5)cc4)ccnc3c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.46
MAP4K4 O95819 10/20 0.46
BRAF P15056 1/20 0.41
APP P05067 1/20 0.40
ALK Q9UM73 3/20 0.37
PKMYT1 Q99640 1/20 0.36

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
SCHEMBL3224747 0.84 SRC (0.47) BRAF
SCHEMBL7249188 0.82 MAP2K1 (0.46) TGFBR1MAP4K4APPALK
SCHEMBL7247623 0.75 SRC (0.56) APP
SCHEMBL5259570 0.74 MAP2K1 (0.47)
SCHEMBL3225436 0.69 MAP2K1 (0.62)
SCHEMBL3223606 0.67 MELK (0.42) BRAF
SCHEMBL3228774 0.65 MAP2K1 (0.49)
SCHEMBL3221025 0.64 SRC (0.59)
SCHEMBL3225370 0.63 MAP2K1 (0.49)
SCHEMBL4418535 0.63 PPARA (0.47) MAP4K4BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 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-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 TGFBR1 1241/4885MAP4K4 34/4885BRAF 1031/4885

“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.