SCHEMBL4918962

SCHEMBL4918962

Cc1nc(Cl)c2nnn(Cc3ccccc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
HPGD P15428 2/20 0.66
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
LMNA P02545 4/20 0.65
KDM4E B2RXH2 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TAAR1 Q96RJ0 1/20 0.56
TP53 P04637 1/20 0.55
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4931759 0.88 ALDH1A1 (0.63) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL13322080 0.85 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL3393873 0.84 ADORA2A (0.62) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL14911849 0.83 CNR2 (0.65) KMT2AMEN1NPSR1
SCHEMBL5264056 0.82 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL9477558 0.82 ALDH1A1 (0.65) ALDH1A1HPGDLMNASMN1; SMN2TAAR1
SCHEMBL4922738 0.77 ALDH1A1 (0.64) ALDH1A1HPGDLMNAKDM4ENPSR1
SCHEMBL13244902 0.77 ADORA2A (0.60) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL9666546 0.75 PDE8B (0.65) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL17731787 0.73 CNR2 (0.65) KMT2AMEN1NPSR1

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-1756113-B1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM GMBH (DE) 2014-05-07 EP disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation VASOPHARM GMBH (DE) 2008-02-21 US disclosed
EP-1756113-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION Vasopharm Biotech GmbH (DE) 2007-02-28 EP disclosed
WO-2005111041-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM BIOTECH GMBH (DE) 2005-11-24 WO disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 EP 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 (1 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-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation NQO1, CYBB, NADK ALDH1A1 284/4885HPGD 14/4885KMT2A 3109/4885

“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.