SCHEMBL9923282

SCHEMBL9923282

N#Cc1cnn2cncc2c1O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.41
EPHB3 P54753 1/20 0.34
MAP2K1 Q02750 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ELANE P08246 2/20 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
SCHEMBL9923278 0.79 CDK2 (0.41) CDK2EPHB3ALDH1A1
SCHEMBL12875621 0.79 CDK2 (0.41) CDK2EPHB3MAP2K1
SCHEMBL1160399 0.79 CDK2 (0.49) CDK2EPHB3MAP2K1ALDH1A1
SCHEMBL12681980 0.71 CDK2 (0.35) CDK2
SCHEMBL9923342 0.70 CDK2 (0.40) CDK2EPHB3
SCHEMBL9923306 0.69 CDK2 (0.35) CDK2ALDH1A1ELANE
SCHEMBL9923309 0.68 CDK2 (0.33) CDK2EPHB3
SCHEMBL16383076 0.68 MAP2K1 (0.33) CDK2MAP2K1ALDH1A1
SCHEMBL1693953 0.68 CDK2 (0.49) CDK2EPHB3ALDH1A1ELANE
SCHEMBL9923104 0.68 CDK2 (0.31) CDK2

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-2013033093-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 CDK2 423/4885EPHB3 3982/4885MAP2K1 548/4885

“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.