SCHEMBL1035448

SCHEMBL1035448

Nc1ncnc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 20/20 0.74
▸ MINK1 Q8N4C8 1/20 0.55
▸ TNIK Q9UKE5 1/20 0.55

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
SCHEMBL17896425 0.91 MAP4K4 (0.72) MAP4K4MINK1TNIK
SCHEMBL15537342 0.85 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL1034295 0.85 MAP4K4 (0.55) MAP4K4
SCHEMBL1033947 0.85 MAP4K4 (0.55) MAP4K4
SCHEMBL15587833 0.84 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL1032209 0.81 MAP4K4 (0.71) MAP4K4MINK1TNIK
SCHEMBL15587826 0.81 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL15587252 0.80 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL31060266 0.80 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL21923181 0.79 MAP4K4 (0.68) MAP4K4MINK1TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — US claimed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 — — US claimed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 — — US claimed
EP-2855459-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-04-08 — — EP claimed
WO-2013178591-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 — — WO claimed
US-20130324516-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH INC (US) 2013-12-05 — — US claimed
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 — — EP disclosed
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 — — EP disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
WO-2013178591-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 — — WO disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — 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-20130324516-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES ABL1, CDK2, PDXK MAP4K4 142/4885MINK1 3087/4885TNIK 1732/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL MAP4K4 700/4885MINK1 3176/4885TNIK 2475/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885MINK1 3194/4885TNIK 3153/4885
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 MAP4K4 1524/4885MINK1 797/4885TNIK 2877/4885

“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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