SCHEMBL12019137

SCHEMBL12019137

Cc1cc(F)cc(Cc2cc(=O)c3c(C4CCC4)[nH]nc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.41
JAK1 P23458 12/20 0.41
JAK3 P52333 12/20 0.41
TYK2 P29597 10/20 0.41
ADORA1 P30542 1/20 0.33
PDE2A O00408 1/20 0.32
MAPK1 P28482 1/20 0.32
ALPL P05186 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
SCHEMBL12005139 0.88 JAK2 (0.41) JAK2JAK1JAK3TYK2MAPK1
SCHEMBL1662234 0.79 JAK2 (0.42) JAK2JAK1JAK3TYK2ADORA1
SCHEMBL1662357 0.78 CDK2 (0.43) JAK2JAK1JAK3TYK2ADORA1
SCHEMBL1665155 0.77 JAK2 (0.42) JAK2JAK1JAK3TYK2ADORA1
SCHEMBL1662463 0.76 JAK2 (0.41) JAK2JAK1JAK3TYK2ADORA1
SCHEMBL1662420 0.73 DAO (0.47) JAK2JAK1JAK3TYK2
SCHEMBL1662814 0.73 JAK2 (0.53) JAK2JAK1JAK3TYK2
SCHEMBL1662427 0.71 JAK2 (0.41) JAK2JAK1JAK3TYK2ADORA1
Hydrochloric Acid SCHEMBL4715431 0.66 JAK1 (0.63) JAK2JAK1JAK3TYK2
SCHEMBL1662425 0.65 CYP2D6 (0.37) JAK2JAK1JAK3TYK2ADORA1

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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS CDK1, CDK5, TTBK1 JAK2 799/4885JAK1 285/4885JAK3 402/4885

“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.