SCHEMBL6833739

SCHEMBL6833739

O=c1cc[nH]c2ncnc(Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TTBK1 Q5TCY1 4/20 0.38
TTBK2 Q6IQ55 4/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR8 P51685 1/20 0.36
CCNT1 O60563 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
CCNA1 P78396 2/20 0.36
CDK5 Q00535 2/20 0.36

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
SCHEMBL1599110 0.79 KDM4E (0.38) DYRK1AKDM4EADORA2AADORA1TTBK1
SCHEMBL19153637 0.78 KDM4E (0.51) DYRK1AKDM4EADORA2AADORA1TTBK1
SCHEMBL3767011 0.78 KDM4E (0.37) DYRK1AKDM4EADORA2AADORA1TTBK1
SCHEMBL12391478 0.75 LRRK2 (0.40) KDM4EADORA2AADORA1TTBK1TTBK2
SCHEMBL22701124 0.74 KDM4E (0.35) DYRK1AKDM4EADORA2AADORA1TTBK1
SCHEMBL21388537 0.74 JAK3 (0.40) KDM4EADORA2AADORA1TTBK1TTBK2
SCHEMBL18238494 0.74 ADORA2A (0.40) DYRK1AKDM4EADORA2AADORA1TTBK1
SCHEMBL102201 0.72 TTBK1 (0.54) DYRK1ATTBK1TTBK2AXLPRKCI
SCHEMBL18332807 0.72 CHEK1 (0.50) CHEK1DYRK1AAURKA
SCHEMBL20061392 0.71 KDM4E (0.53) KDM4EADORA2AADORA1KMT2AALDH1A1

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 1915/4885DYRK1A 4850/4885KDM4E 4438/4885

“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.