SCHEMBL1836844

SCHEMBL1836844

O=c1cc(-c2ccncc2)nc2ccc(-c3ccccc3)cn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.50
CDC7 O00311 2/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50
HIPK2 Q9H2X6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ALDH1A3 P47895 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ALDH1A2 O94788 1/20 0.48
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAD51 Q06609 1/20 0.44
SLC2A1 P11166 1/20 0.43
DHODH Q02127 1/20 0.43
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL1837017 0.81 KDR (0.53) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL32687974 0.80 KDM4E (0.54) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL1834856 0.80 ADORA3 (0.47) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL1660663 0.78 NPC1 (0.56) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL28958142 0.78 NPC1 (0.56) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL1659994 0.74 KDM4E (0.52) ALDH1A1NPC1RAB9AKDM4ERAD51
SCHEMBL1835084 0.74 KDM5B (0.44) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL20602860 0.72 ADORA3 (0.61) KDM4EMAPT
SCHEMBL8102213 0.72 RAD51 (0.56) ALDH1A3ALDH1A1NPC1RAB9AKDM4E
SCHEMBL15313405 0.71 CYP19A1 (0.63) GSK3BCDC7ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321314-B1 SUBSTITUTED PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2017-05-31 EP claimed
US-9073915-B2 Substituted pyrimidone derivatives SANOFI (FR) 2015-07-07 US claimed
US-20110144133-A1 SUBSTITUTED PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US claimed
EP-2138493-A1 Substituted pyrimidone derivatives Sanofi-Aventis (FR) 2009-12-30 EP claimed
EP-2321314-B1 SUBSTITUTED PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2017-05-31 EP disclosed
US-9073915-B2 Substituted pyrimidone derivatives SANOFI (FR) 2015-07-07 US disclosed
US-20110144133-A1 SUBSTITUTED PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2321314-A2 SUBSTITUTED PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP disclosed
EP-2138493-A1 Substituted pyrimidone derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2009156861-A2 SUBSTITUTED PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 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 (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-20110144133-A1 SUBSTITUTED PYRIMIDONE DERIVATIVES DHFR, TYMP, DPYD GSK3B 4094/4885CDC7 1845/4885ROCK2 3186/4885

“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.