SCHEMBL1713302

SCHEMBL1713302

CCCCCn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 3/20 0.70
BRD4 O60885 4/20 0.69
BRD2 P25440 2/20 0.68
BRD3 Q15059 2/20 0.68
BRDT Q58F21 2/20 0.68
PDE4A P27815 3/20 0.65
ADORA2A P29274 3/20 0.65
PDE4B Q07343 3/20 0.65
PDE4C Q08493 3/20 0.65
PDE4D Q08499 3/20 0.65
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
USP2 O75604 1/20 0.55
RAB9A P51151 1/20 0.55
CNOT7 Q9UIV1 4/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL557088 0.99 MEN1 (0.68) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL3104007 0.96 MEN1 (0.75) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7607643 0.92 PDE4A (0.74) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL1713031 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL27600284 0.89 ALDH1A1 (0.70) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL554932 0.87 BRD4 (0.81) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL1713023 0.86 BRD4 (0.51) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL1713025 0.86 BRD4 (0.51) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11399596 0.85 MEN1 (0.95) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL556233 0.85 BRD4 (0.82) MEN1KMT2ABRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049544-B9 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2011-07-20 EP disclosed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 US disclosed
EP-2049544-B1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2010-11-03 EP disclosed
EP-2049544-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-22 EP disclosed
US-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-04-02 US disclosed
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 US disclosed
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 US disclosed
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150026-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 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 (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-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A MEN1 1825/4885KMT2A 1601/4885ALDH1A1 641/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A MEN1 1825/4885KMT2A 1601/4885ALDH1A1 641/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A MEN1 1825/4885KMT2A 1601/4885ALDH1A1 641/4885

“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.