SCHEMBL9923344

SCHEMBL9923344

N#Cc1cnn2cnnc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.40
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL9923342 0.79 CDK2 (0.40) CDK2
SCHEMBL16503594 0.75 CDK2 (0.46) CDK2KDM4EALDH1A1LMNAPOLB
SCHEMBL9923288 0.72 CDK2 (0.60) CDK2KDM4EALDH1A1LMNAPOLB
SCHEMBL9920397 0.70 HTT (0.34) KDM4EHTT
SCHEMBL9923278 0.70 CDK2 (0.41) CDK2KDM4EALDH1A1LMNAPOLB
SCHEMBL9923423 0.69 MEN1 (0.36) CDK2KDM4EALDH1A1LMNAPOLB
SCHEMBL9923348 0.67 CDK2 (0.38) CDK2KDM4EALDH1A1LMNAPOLB
SCHEMBL1160390 0.67 CDK2 (0.49) CDK2KDM4EALDH1A1HTT
SCHEMBL21855498 0.64 CDK2 (0.54) CDK2KDM4EALDH1A1HTTLMNA
SCHEMBL12492445 0.63 CDK2 (0.35) CDK2KDM4EALDH1A1

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 CDK2 423/4885KDM4E 449/4885ALDH1A1 1632/4885

“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.