SCHEMBL14289088

SCHEMBL14289088

CC(C)(C)c1c(C#N)nnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.35
▸ LRRK2 Q5S007 3/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ GRK5 P34947 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ NEK2 P51955 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33

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
SCHEMBL14289091 0.79 LATS1 (0.36) ELANEHTT
SCHEMBL14289094 0.79 ELANE (0.33) LRRK2ELANEHTT
SCHEMBL23942265 0.77 GPR3 (0.48) GPR3KDM4EALDH1A1POLBLRRK2
SCHEMBL16132349 0.74 GPR3 (0.50) GPR3KDM4EALDH1A1POLBELANE
SCHEMBL20301264 0.73 KDM4E (0.48) GPR3KDM4EALDH1A1POLBCYP1A2
SCHEMBL1640925 0.72 POLB (0.52) GPR3KDM4EALDH1A1POLBCYP1A2
SCHEMBL16132400 0.71 LCK (0.46) GPR3KDM4EALDH1A1POLBLRRK2
SCHEMBL4569233 0.71 LRRK2 (0.54) GPR3KDM4EALDH1A1POLBLRRK2
SCHEMBL13990742 0.70 LMNA (0.50) GPR3KDM4EALDH1A1POLBELANE
SCHEMBL21085739 0.69 ALDH1A1 (0.47) GPR3KDM4EALDH1A1POLBLRRK2

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-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 — — 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-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET GPR3 1974/4885KDM4E 2282/4885ALDH1A1 3139/4885

“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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