SCHEMBL1713167

SCHEMBL1713167

O=c1[nH]c2c(ncn2C2CCCCO2)c2nncn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 3/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
APEX1 P27695 1/20 0.41
PI4KA P42356 1/20 0.41
BLM P54132 1/20 0.41
ADCY1 Q08828 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL1713077 0.74 YTHDC1 (0.56) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL1713617 0.72 CYP2C19 (0.42) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL17485765 0.69 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL26248824 0.69 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL1713327 0.68 YTHDC1 (0.57) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL11749900 0.66 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL20275350 0.65 YTHDC1 (0.69) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL22833939 0.64 YTHDC1 (0.55) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL4572213 0.64 CYP2C19 (0.74) ALDH1A1KMT2AKDM4EMEN1CYP2C19
SCHEMBL31569297 0.64 CYP2C19 (0.74) ALDH1A1KMT2AKDM4EMEN1CYP2C19

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 22 patents — showing the first 20. 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-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 US 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 ALDH1A1 641/4885KMT2A 1601/4885KDM4E 3782/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ALDH1A1 641/4885KMT2A 1601/4885KDM4E 3782/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ALDH1A1 641/4885KMT2A 1601/4885KDM4E 3782/4885

“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.