SCHEMBL4999841

SCHEMBL4999841

CC1=C(C#N)C(c2cccc(C(=O)NCCC3CCN(C(=O)OC(C)(C)C)CC3)c2)C(C#N)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 11/20 0.53
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
GPR119 Q8TDV5 3/20 0.43
ROCK2 O75116 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 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
SCHEMBL9888368 0.89 ITGB3 (0.43) NOTCH1ROCK2SMYD3
SCHEMBL4989580 0.79 EGLN1 (0.45) ADORA2A
SCHEMBL26668533 0.76 KDM4E (0.70) KDM4EPKMGPR119
SCHEMBL4994434 0.76 SMN1; SMN2 (0.43) KDM4E
SCHEMBL4441872 0.75 MAPT (0.47)
SCHEMBL4993563 0.74 NOTCH1 (0.43) NOTCH1
SCHEMBL4988615 0.74 LMNA (0.46)
SCHEMBL4999910 0.74 SMN1; SMN2 (0.53) KDM4E
SCHEMBL4989299 0.73 CNR1 (0.45) NOTCH1KDM4EPKMGPR119
SCHEMBL31224992 0.72 KDM4E (0.50) KDM4EPKMGPR119HDAC1ADORA2A

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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET NOTCH1 696/4885KDM4E 1582/4885PKM 545/4885

“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.