SCHEMBL5914092

SCHEMBL5914092

CN(c1cc(-c2ccccc2)c(=O)n(C)c1)c1ccnc(NC2CCN(C(=O)O)C(C(C)(C)C)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ JUN P05412 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30

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
SCHEMBL5317262 0.88 MAPK8 (0.39) KDRFGFR1EPHB4CYP3A4MAPK14
SCHEMBL5264929 0.84 IRAK1 (0.41) MAPK1CYP3A4MAPK14JUNMAPK8
SCHEMBL5914088 0.83 USP30 (0.46) MAPK1MAPK14USP30SRCL3MBTL1
SCHEMBL5914261 0.82 USP30 (0.33) KDRFGFR1EPHB4MAPK1CYP3A4
SCHEMBL5914076 0.80 MAPK8 (0.40) KDRFGFR1EPHB4MAPK1MAPK8
SCHEMBL3924389 0.73 MAPK8 (0.40) KDRFGFR1EPHB4CYP3A4MAPK14
SCHEMBL4107974 0.72 KDM4E (0.39) MAPK1HDAC8HDAC6
SCHEMBL5263693 0.71 KDR (0.37) KDRFGFR1EPHB4MAPK14HDAC6
SCHEMBL5914120 0.70 HTR7 (0.44) KDRHRH3
SCHEMBL5913989 0.69 AURKA (0.42) MAPK1MAPK14JUNMAPK8MAPK9

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — US claimed

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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP KDR 210/4885FGFR1 1120/4885EPHB4 1411/4885

“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.

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