SCHEMBL17795637

SCHEMBL17795637

Cc1ccc(-c2cn(C)nn2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.46
▸ DYRK1A Q13627 8/20 0.46
▸ WNT1 P04628 6/20 0.46
▸ KMO O15229 2/20 0.46
▸ KCNH2 Q12809 2/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ SRC P12931 2/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ GRIN2B Q13224 1/20 0.37

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
SCHEMBL15542994 0.86 GSK3B (0.44) GSK3BDYRK1AWNT1KMOCA1
SCHEMBL20868849 0.82 KMO (0.44) GSK3BDYRK1AWNT1KMOKCNH2
SCHEMBL1628889 0.80 MAPT (0.46) GSK3BDYRK1AWNT1SRC
SCHEMBL17806601 0.80 GSK3B (0.41) GSK3BDYRK1AWNT1CA1CA2
SCHEMBL20868458 0.79 GSK3B (0.39) GSK3BDYRK1AWNT1
SCHEMBL15729262 0.78 DPP4 (0.41) GSK3BDYRK1AWNT1CA1CA2
SCHEMBL2742892 0.78 CHRNB2 (0.49) GSK3BDYRK1AWNT1KMO
SCHEMBL22053089 0.78 KMO (0.44) KMOKCNH2
SCHEMBL23559594 0.77 GSK3B (0.49) GSK3BDYRK1AWNT1KMOSRC
SCHEMBL31226909 0.77 GSK3B (0.49) GSK3BDYRK1AWNT1KMOSRC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 — — EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 — — WO disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — US disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 — — 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 (2 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 GSK3B 2555/4885DYRK1A 4494/4885WNT1 2708/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 GSK3B 2555/4885DYRK1A 4494/4885WNT1 2708/4885

“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.

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