SCHEMBL9923327

SCHEMBL9923327

CCOC(=O)c1nnc2c(NC3CCCCC3C)c(C#N)cnn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
JAK1 P23458 4/20 0.39
JAK3 P52333 4/20 0.39
PDE4B Q07343 2/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K1 Q02750 2/20 0.36
P2RY12 Q9H244 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9923426 0.86 TSHR (0.38) KDM4EHTTPOLBRECQLHSD17B10
SCHEMBL9920403 0.83 OPRK1 (0.37) KDM4EHTTHSD17B10JAK1JAK3
SCHEMBL1160709 0.81 TSHR (0.42) KDM4EHTTPOLBRECQLALDH1A1
SCHEMBL9923414 0.76 KDM4E (0.55) KDM4EHTTPOLBRECQLALDH1A1
SCHEMBL9923415 0.75 KDM4E (0.54) KDM4EHTTPOLBRECQLALDH1A1
SCHEMBL9923418 0.71 TSHR (0.34) KDM4EHTTPOLBALDH1A1HSD17B10
SCHEMBL9923345 0.71 PKM (0.36) KDM4EHTTALDH1A1HSD17B10JAK1
SCHEMBL9923326 0.71 TSHR (0.42) KDM4EHTTPOLBALDH1A1HSD17B10
SCHEMBL9923351 0.70 JAK2 (0.34) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL9920385 0.69 CDK2 (0.43) KDM4EHTTALDH1A1HSD17B10JAK1

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 449/4885HTT 4733/4885POLB 1708/4885

“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.