SCHEMBL6619632

SCHEMBL6619632

NC(=O)c1nc(-c2ccccc2)cnc1O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.64
MAP2K3 P46734 1/20 0.57
ATR Q13535 13/20 0.51
PRKDC P78527 5/20 0.51
ATM Q13315 2/20 0.48
ADORA2A P29274 1/20 0.45
ASIC3 Q9UHC3 1/20 0.43
CYP3A4 P08684 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL11146891 0.87 IKBKB (0.60) IKBKBMAP2K3ATRPRKDCATM
SCHEMBL6990771 0.86 IKBKB (0.51) IKBKBMAP2K3ATRPRKDCATM
SCHEMBL24248259 0.83 ATR (0.67) IKBKBMAP2K3ATRPRKDCATM
SCHEMBL3462610 0.81 ATR (0.63) IKBKBMAP2K3ATRPRKDCATM
SCHEMBL2850738 0.80 IKBKB (0.60) IKBKBMAP2K3ATRPRKDCATM
SCHEMBL3461817 0.80 IKBKB (0.49) IKBKBATRPRKDCATM
SCHEMBL6987949 0.79 IKBKB (0.51) IKBKBMAP2K3ATRPRKDCATM
Hydrochloric Acid SCHEMBL28324236 0.79 IKBKB (0.58) IKBKBMAP2K3ATRPRKDCATM
SCHEMBL3461304 0.78 IKBKB (0.74) IKBKBMAP2K3ATRPRKDCATM
SCHEMBL7545059 0.75 IKBKB (0.55) IKBKBMAP2K3ATRPRKDCATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100434079-C Pyrazine nucleotide/pyrazine nucleoside analogue and medical application thereof FUJIYAMA CHEMICAL IND CO LTD (JP) 2008-11-19 CN disclosed
CN-1551777-A Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue 富山化学工业株式会社 2004-12-01 CN disclosed
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue TOYAMA CHEMICAL CO., LTD. (JP) 2004-11-25 US disclosed
EP-1417967-A1 NOVEL VIRUS PROLIFERATION INHIBITION/VIRUCIDAL METHOD AND NOVEL PYRADINE NUCLEOTIDE/PYRADINE NUCLEOSIDE ANALOGUE TOYAMA CHEMICAL CO., LTD. (JP) 2004-05-12 EP 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-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue CDK5, NT5C3B, CDK15 IKBKB 3484/4885MAP2K3 927/4885ATR 2199/4885

“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.