SCHEMBL9923345

SCHEMBL9923345

CC1CCCCC1Nc1c(C#N)cnn2cnnc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
JAK1 P23458 2/20 0.33
TYK2 P29597 1/20 0.33
CSNK2A2 P19784 2/20 0.33
CDK2 P24941 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RET P07949 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
SCHEMBL9920385 0.81 CDK2 (0.43) PKMJAK1TYK2CSNK2A2CDK2
SCHEMBL9923279 0.80 JAK1 (0.39) PKMJAK1TYK2CDK2IRAK4
SCHEMBL9920404 0.79 JAK2 (0.32) JAK1MEN1MAPTTSHRMAPK1
SCHEMBL9923418 0.79 TSHR (0.34) PKMJAK1CDK2MEN1MAPT
SCHEMBL9923341 0.78 JAK3 (0.40) JAK1TYK2IRAK4MEN1MAPT
SCHEMBL9923351 0.78 JAK2 (0.34) PKMJAK1CDK2MEN1MAPT
SCHEMBL9899010 0.78 JAK1 (0.53) JAK1TYK2TSHRJAK2JAK3
SCHEMBL1160181 0.78 JAK1 (0.53) JAK1TYK2TSHRJAK2JAK3
SCHEMBL9897077 0.78 JAK1 (0.53) JAK1TYK2TSHRJAK2JAK3
SCHEMBL9920258 0.77 JAK3 (0.51) JAK1TYK2MEN1MAPTTSHR

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 PKM 484/4885JAK1 1/4885TYK2 10/4885

“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.