SCHEMBL4928331

SCHEMBL4928331

Cn1nnc2c(Cl)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.49
MAPT P10636 6/20 0.47
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
HRH4 Q9H3N8 1/20 0.35
FDPS P14324 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
P2RX7 Q99572 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
KMT2A Q03164 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 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
SCHEMBL14438668 0.78 TP53 (0.50) TP53MAPTPOLBLMNAADORA2A
SCHEMBL763189 0.76 ADORA2A (0.53) TP53MAPTPOLBLMNAADORA2A
SCHEMBL22571143 0.76 PI4KB (0.34) POLBLMNAFDPSADORA2AADORA1
SCHEMBL13082054 0.73 TP53 (0.50) TP53MAPTPOLBLMNA
SCHEMBL18520807 0.71 MAPT (0.40) TP53MAPTPOLBLMNA
SCHEMBL24687442 0.71 ADORA2A (0.36) TP53LMNAFDPSADORA2AADORA1
SCHEMBL21138498 0.70 PI4KA (0.43) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL30572667 0.69 ADORA1 (0.60) FDPSADORA2AADORA1P2RX7FGFR1
SCHEMBL838439 0.69 PI4KA (0.43) TP53MAPTLMNAP2RX7PI4KA
SCHEMBL21138787 0.69 TP53 (0.43) TP53LMNAFDPSADORA2API4KB

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 12 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-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2009006404-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 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
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 US 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 (3 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 TP53 4796/4885MAPT 4457/4885POLB 3058/4885
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 TP53 3520/4885MAPT 4226/4885POLB 815/4885
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors BRAF, RAF1, ARAF TP53 172/4885MAPT 3836/4885POLB 2352/4885

“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.