SCHEMBL11917618

SCHEMBL11917618

Cc1nc(C)c(C)c(Nc2n[nH]c3ncc(F)cc23)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 14/20 0.45
GSK3B P49841 14/20 0.45
GRM4 Q14833 2/20 0.35
PIK3CA P42336 2/20 0.35
CYP1A2 P05177 1/20 0.34
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 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
SCHEMBL11917620 0.88 GSK3A (0.43) GSK3AGSK3BGRM4PIK3CACYP1A2
SCHEMBL11917623 0.87 GSK3A (0.42) GSK3AGSK3BGRM4PIK3CAJAK2
SCHEMBL11917622 0.82 GSK3A (0.43) GSK3AGSK3BGRM4PIK3CACYP1A2
SCHEMBL12303166 0.81 GSK3A (0.44) GSK3AGSK3BCYP1A2
SCHEMBL915313 0.81 GSK3A (0.71) GSK3AGSK3BPIK3CAJAK2
SCHEMBL947431 0.79 GSK3A (0.52) GSK3AGSK3BCYP1A2
SCHEMBL11917633 0.79 GSK3A (0.72) GSK3AGSK3BGRM4
SCHEMBL11917613 0.75 GSK3A (0.39) GSK3AGSK3BGRM4PIK3CACYP1A2
SCHEMBL2438325 0.74 PDPK1 (0.40) GSK3AGSK3BGRM4PIK3CACYP1A2
SCHEMBL14070089 0.73 GRM4 (0.39) GSK3AGSK3BGRM4PIK3CACYP1A2

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-8242272-B2 Process for preparing 5-fluoro-1H-pyrazolo [3,4-B] pyridin-3-amine and derivatives thereof VERTEX PHARMACEUTICALS INC. (US) 2012-08-14 US disclosed
US-20100184980-A1 Process for Preparing 5-Fluoro-1H-Pyrazolo [3,4-b] Pyridin-3-amine and Derivatives Thereof VERTEX PHARMACEUTICALS INCORPORATED 2010-07-22 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-20100184980-A1 Process for Preparing 5-Fluoro-1H-Pyrazolo [3,4-b] Pyridin-3-amine and Derivatives Thereof GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885GRM4 2769/4885

“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.