SCHEMBL9921698

SCHEMBL9921698

N#Cc1nnc2[nH]ccc2c1O

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.31
TTBK2 Q6IQ55 2/20 0.31
PRKCI P41743 2/20 0.31
AXL P30530 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK1 Q13546 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL9921699 0.79 PRKCI (0.42) TTBK1TTBK2PRKCIAXLKDM4E
SCHEMBL12833213 0.68 EGLN1 (0.38) TTBK1TTBK2KDM4EMAPT
SCHEMBL9918659 0.68 TTBK1 (0.31) TTBK1TTBK2PRKCIAXL
SCHEMBL3492520 0.67 JAK2 (0.47) TTBK1TTBK2
SCHEMBL9918666 0.67 JAK3 (0.38) TTBK1TTBK2
SCHEMBL12684548 0.65 NUDT1 (0.33) TTBK1TTBK2
SCHEMBL23647524 0.64 PRKCI (0.38) TTBK1TTBK2PRKCIAXLKDM4E
SCHEMBL9918753 0.63 PRKCI (0.35) TTBK1TTBK2PRKCIAXLKDM4E
SCHEMBL20431216 0.62 ADORA1 (0.38) KDM4EALDH1A1GAAKMT2A
SCHEMBL1504315 0.62 PRKCI (0.35) TTBK1TTBK2PRKCIAXLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TTBK1 597/4885TTBK2 854/4885PRKCI 156/4885

“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.