Sugi Predict

Sugi Predict / Compounds / SCHEMBL915313

SCHEMBL915313

SCHEMBL915313

Cc1nc(C2CCCCC2)nc(Nc2n[nH]c3ncc(F)cc23)c1C

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 12/20 0.71
▸ GSK3B P49841 12/20 0.71
▸ CHRM3 P20309 3/20 0.36
▸ PDE4A P27815 3/20 0.36
▸ PDE4B Q07343 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ PDE5A O76074 2/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PIK3CA P42336 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
SCHEMBL11917639 1.00 GSK3A (0.71) GSK3AGSK3BCHRM3PDE4APDE4B
SCHEMBL11917633 0.90 GSK3A (0.72) GSK3AGSK3B
SCHEMBL11917636 0.84 GSK3A (0.70) GSK3AGSK3BJAK2
SCHEMBL11917638 0.84 GSK3A (0.70) GSK3AGSK3BJAK2
SCHEMBL11917637 0.83 GSK3A (0.69) GSK3AGSK3BJAK2
SCHEMBL11917635 0.81 GSK3A (0.66) GSK3AGSK3BJAK2
SCHEMBL3139887 0.81 GSK3A (0.54) GSK3AGSK3BPDE5AJAK2
SCHEMBL11917618 0.81 GSK3A (0.45) GSK3AGSK3BJAK2PIK3CA
SCHEMBL11917620 0.79 GSK3A (0.43) GSK3AGSK3BJAK2PIK3CA
SCHEMBL11917643 0.78 GSK3A (0.62) GSK3AGSK3BJAK2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-07-10 — — US disclosed
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-07-10 — — US disclosed
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-07-10 — — US disclosed
US-8664219-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-04 — — US disclosed
US-8664219-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-04 — — US disclosed
US-8664219-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-04 — — US disclosed
EP-2134707-B1 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMA (US) 2013-09-11 — — EP disclosed
EP-2134707-B1 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMA (US) 2013-09-11 — — EP disclosed
US-20120232275-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3,4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 — — US disclosed
US-20120232275-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3,4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 — — US disclosed
US-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
EP-2262498-A2 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmceuticals Incorporated (US) 2010-12-22 — — EP 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
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
WO-2009145814-A9 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — WO disclosed
WO-2009145814-A9 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — WO disclosed
WO-2009145814-A2 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 — — WO disclosed
WO-2009145814-A2 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 — — WO disclosed
WO-2008112642-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 — — WO 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 (4 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-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKDC, MAP3K5, MAP3K20 GSK3A 331/4885GSK3B 371/4885CHRM3 4853/4885
US-20120232275-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3,4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885CHRM3 1260/4885
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKDC, MAP3K5, MAP3K20 GSK3A 331/4885GSK3B 371/4885CHRM3 4853/4885
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 1/4885CHRM3 1260/4885

“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.