SCHEMBL4891808

SCHEMBL4891808

CNCCC(C(=O)N(c1ccc2c(=O)[nH]cnc2c1)N(CCCC(C(=O)Nc1ccc2c(=O)[nH]cnc2c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
KDR P35968 5/20 0.33
TEK Q02763 5/20 0.33
EPHB4 P54760 4/20 0.33
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4905656 0.82 KDR (0.42) ROCK2MAPK1KDRTEKEPHB4
SCHEMBL4871872 0.82 ROCK2 (0.48) ROCK2KDRTEKEPHB4EGFR
SCHEMBL5223405 0.81 ROCK2 (0.41) MAPTKMT2ANPSR1KDM4EROCK2
SCHEMBL4877478 0.72 ROCK2 (0.41) MAPTKMT2ANPSR1KDM4ETDP1
SCHEMBL4874920 0.65 KDR (0.58) MAPTROCK2MAPK1KDRTEK
SCHEMBL4866136 0.65 KDR (0.58) MAPTROCK2MAPK1KDRTEK
SCHEMBL4870050 0.65 KDR (0.58) MAPTROCK2MAPK1KDRTEK
SCHEMBL4870032 0.63 TEK (0.69) KMT2AROCK2KDRTEKEPHB4
SCHEMBL4002520 0.62 ALDH1A1 (0.52) ROCK2KDRTEKEPHB4EGFR
SCHEMBL4002529 0.62 ALDH1A1 (0.52) ROCK2KDRTEKEPHB4EGFR

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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B MAPT 1204/4885KMT2A 1763/4885NPSR1 880/4885

“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.