SCHEMBL9920385

SCHEMBL9920385

CC1CCCCC1Nc1c(C#N)cnn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
JAK1 P23458 2/20 0.35
TYK2 P29597 1/20 0.35
ZAP70 P43403 1/20 0.35
SYK P43405 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9923345 0.81 PKM (0.36) CDK2KDM4EALDH1A1IRAK4JAK1
SCHEMBL9923351 0.80 JAK2 (0.34) CDK2KDM4EALDH1A1JAK1JAK2
SCHEMBL9899010 0.80 JAK1 (0.53) JAK1TYK2SYKJAK2JAK3
SCHEMBL9897077 0.80 JAK1 (0.53) JAK1TYK2SYKJAK2JAK3
SCHEMBL1160181 0.80 JAK1 (0.53) JAK1TYK2SYKJAK2JAK3
SCHEMBL9920387 0.80 JAK3 (0.34) ALDH1A1JAK1ZAP70SYKJAK2
SCHEMBL9923291 0.78 JAK3 (0.42) KDM4EIRAK4JAK1TYK2ZAP70
SCHEMBL9923279 0.78 JAK1 (0.39) CDK2ALDH1A1IRAK4JAK1TYK2
SCHEMBL9923407 0.77 PIK3CG (0.34) ALDH1A1JAK1ZAP70SYKJAK2
SCHEMBL9920257 0.77 JAK3 (0.53) IRAK4JAK1TYK2ZAP70SYK

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 2 patents. 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
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.