SCHEMBL9923313

SCHEMBL9923313

N#Cc1cnn2cc(N=O)cc2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK2 P24941 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
DRD2 P14416 2/20 0.30
DRD1 P21728 2/20 0.30
DRD4 P21917 2/20 0.30
HTR2A P28223 2/20 0.30
DRD3 P35462 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
SCHEMBL9923309 0.85 CDK2 (0.33) CDK2
SCHEMBL9923311 0.82 PIK3CA (0.35) ALDH1A1CDK2RXRARXRBRXRG
SCHEMBL12492445 0.77 CDK2 (0.35) KDM4EALDH1A1CDK2RXRARXRB
SCHEMBL9923089 0.75 MAP2K1 (0.46)
SCHEMBL1160611 0.74 VCAM1 (0.43) KDM4EALDH1A1
SCHEMBL16383075 0.73 CDK2 (0.34) KDM4EALDH1A1CDK2RXRARXRB
SCHEMBL9923090 0.73 JAK1 (0.43) CDK2
SCHEMBL9923304 0.72 JAK1 (0.36) CDK2
SCHEMBL9923050 0.72 JAK1 (0.36) CDK2
SCHEMBL9923397 0.72 MAP2K1 (0.39)

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 KDM4E 449/4885ALDH1A1 1632/4885CDK2 423/4885

“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.