SCHEMBL4928309

SCHEMBL4928309

COc1ccc(Cn2nnc3c(Cl)ncnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HPGD P15428 5/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PDE8B O95263 2/20 0.51
HRH4 Q9H3N8 1/20 0.50
PKM P14618 3/20 0.47
TSHR P16473 3/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
MET P08581 2/20 0.46
NPSR1 Q6W5P4 3/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL9476208 0.82 HTT (0.58) ALDH1A1HPGDPOLBLMNASMN1; SMN2
SCHEMBL4922738 0.81 ALDH1A1 (0.64) ALDH1A1HPGDLMNAPKMTSHR
SCHEMBL18614407 0.81 PDE8B (0.51) ALDH1A1HPGDTP53POLBPDE8B
SCHEMBL1070489 0.81 PDE8B (0.57) ALDH1A1HPGDTP53PDE8BMAPT
SCHEMBL5465705 0.80 ALDH1A1 (0.47) ALDH1A1HPGDTP53POLBLMNA
SCHEMBL3392762 0.79 PDE8B (0.63) ALDH1A1HPGDTP53PDE8BMET
SCHEMBL14429610 0.78 ADORA2A (0.56)
SCHEMBL14911943 0.77 CNR2 (0.60) SMN1; SMN2PDE8BTSHR
SCHEMBL5465357 0.77 HPGD (0.64) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL5452386 0.76 ALDH1A1 (0.51) ALDH1A1HPGDLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
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
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US 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 (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-20070203159-A1 Purine compounds PNP, UMPS, TYMP ALDH1A1 2044/4885HPGD 2203/4885TP53 2990/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ALDH1A1 1644/4885HPGD 252/4885TP53 3997/4885
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 ALDH1A1 284/4885HPGD 14/4885TP53 3520/4885

“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.