SCHEMBL3028579

SCHEMBL3028579

O=C1NC(Cl)Nc2nccnc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
TNKS2 Q9H2K2 2/20 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
SCHEMBL841473 0.76 TNKS2 (0.30) TNKS2
SCHEMBL21586265 0.64 ALDH1A1 (0.30)
SCHEMBL6010814 0.61 GDA (0.32)
SCHEMBL15386158 0.61 ALDH1A1 (0.35)
SCHEMBL3500581 0.60 ALDH1A1 (0.37) GSK3B
SCHEMBL30642415 0.60
SCHEMBL4874802 0.60 CYP1A2 (0.30)
Water SCHEMBL11632248 0.59
SCHEMBL17159951 0.56 ALDH1A1 (0.55)
SCHEMBL15758842 0.53 GDA (0.31)

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
US-7759347-B2 2-benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-20090124628-A1 2-benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 US disclosed
EP-1761536-B1 NOVEL 2-BENZYLAMINODIHYDROPTERIDINONES, METHOD FOR PRODUCING THEM AND USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2007-12-26 EP disclosed
EP-1761536-A1 NOVEL 2-BENZYLAMINODIHYDROPTERIDINONES, METHOD FOR PRODUCING THEM AND USE THEREOF AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-03-14 EP disclosed
US-20060004014-A1 2-Benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 US disclosed
WO-2005123736-A1 NOVEL 2-BENZYLAMINODIHYDROPTERIDINONES, METHOD FOR PRODUCING THEM AND USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-29 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-20090124628-A1 2-benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments QDPR, DHPS, CYP51A1 GSK3B 4150/4885TNKS2 1520/4885
US-20060004014-A1 2-Benzylaminodihydropteridinones, process for their manufacture and use thereof as medicaments QDPR, DHPS, CYP51A1 GSK3B 4150/4885TNKS2 1520/4885

“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.