SCHEMBL6838475

SCHEMBL6838475

Clc1ncnc2[nH]cc(-c3ncco3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.49
JAK3 P52333 1/20 0.44
PDPK1 O15530 2/20 0.41
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
CDK5 Q00535 2/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5R1 Q15078 1/20 0.37
LRRK2 Q5S007 12/20 0.35
STK3 Q13188 8/20 0.35
STK4 Q13043 6/20 0.35
CDC7 O00311 2/20 0.35
ROS1 P08922 2/20 0.35
MARK3 P27448 2/20 0.35
CDK8 P49336 2/20 0.35
MAP2K1 Q02750 2/20 0.35
MELK Q14680 2/20 0.35
CAMK2A Q9UQM7 2/20 0.35

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
SCHEMBL6422496 0.75 STK3 (0.61) CHEK1JAK3PDPK1LRRK2STK3
SCHEMBL29378308 0.70 LRRK2 (0.61) CHEK1JAK3PDPK1CDK2CDK5
SCHEMBL3226104 0.70 LRRK2 (0.61) CHEK1JAK3PDPK1CDK2CDK5
SCHEMBL1598149 0.69 CHEK1 (0.66) CHEK1JAK3CDK2CDK9CDK5
SCHEMBL31329069 0.69 CHEK1 (0.66) CHEK1JAK3CDK2CDK9CDK5
SCHEMBL16636871 0.69 LRRK2 (0.61) CHEK1JAK3CDK2CDK5LRRK2
SCHEMBL28613532 0.69 GPR84 (0.44) JAK3PDPK1CDK2CDK9CDK5
SCHEMBL7060408 0.68 STK3 (0.56) CHEK1JAK3PDPK1CDK2CDK9
SCHEMBL153752 0.68 CHEK1 (0.63) CHEK1JAK3LRRK2STK3STK4
SCHEMBL2323682 0.68 CHEK1 (0.63) CHEK1JAK3CDK2CDK9CDK5

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-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 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-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection HAVCR2, PNP, NTPCR CHEK1 1915/4885JAK3 1750/4885PDPK1 2491/4885

“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.