SCHEMBL1726560

SCHEMBL1726560

COc1cc(NC(=N)N)ccc1-n1cnc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.57
PSEN2 P49810 20/20 0.57
APH1B Q8WW43 20/20 0.57
NCSTN Q92542 20/20 0.57
APH1A Q96BI3 20/20 0.57
PSENEN Q9NZ42 20/20 0.57
CYP3A4 P08684 1/20 0.50

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
Nitric Acid SCHEMBL1616809 0.92 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1616813 0.92 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL15124771 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL3430493 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962517 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359206 0.85 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4456548 0.85 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7855567 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036533 0.82 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16692871 0.81 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742050-B1 DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-9206195-B2 Dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-08 US disclosed
US-20130196988-A1 Dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 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-20130196988-A1 Dihydrothienopyrimidines BACE1, BACE2, APP PSEN1 7/4885PSEN2 8/4885APH1B 5/4885
US-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 PSEN1 2/4885PSEN2 3/4885APH1B 9/4885

“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.