SCHEMBL9923311

SCHEMBL9923311

Cc1c(C#N)cnn2cc(N=O)cc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.35
PIK3CD O00329 8/20 0.35
PIK3CB P42338 7/20 0.35
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP2K1 Q02750 4/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9923313 0.82 KDM4E (0.33) CDK2ALDH1A1RXRARXRBRXRG
SCHEMBL9923309 0.82 CDK2 (0.33) CDK2
SCHEMBL9923397 0.79 MAP2K1 (0.39) LMNAMAP2K1
SCHEMBL9923089 0.75 MAP2K1 (0.46) MAP2K1
SCHEMBL9923090 0.73 JAK1 (0.43) CDK2KMT2A
SCHEMBL9923050 0.72 JAK1 (0.36) CDK2TSHRKMT2A
SCHEMBL9923304 0.72 JAK1 (0.36) CDK2TSHRKMT2A
SCHEMBL9923338 0.68 CDK2 (0.49) CDK2ALDH1A1LMNATSHRMAP2K1
SCHEMBL12875621 0.68 CDK2 (0.41) CDK2TSHRMAP2K1KMT2A
SCHEMBL13751493 0.65 TSHR (0.43) ALDH1A1LMNATSHRTDP1KMT2A

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 PIK3CA 77/4885PIK3CD 100/4885PIK3CB 87/4885

“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.