SCHEMBL3450685

SCHEMBL3450685

Oc1nc(NC2CCCCCC2)cc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.56
CDC7 O00311 1/20 0.53
DBF4 Q9UBU7 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ADORA1 P30542 8/20 0.50
ADORA2A P29274 7/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADORA3 P0DMS8 4/20 0.48
GPR39 O43194 1/20 0.47
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTT P42858 1/20 0.45
PDE5A O76074 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
SCHEMBL13309931 0.85 ADORA1 (0.63) VCPCDC7DBF4NPC1RAB9A
SCHEMBL3450507 0.83 CDC7 (0.53) VCPCDC7DBF4NPC1RAB9A
SCHEMBL15757620 0.83 AURKA (0.59) VCPCDC7DBF4NPC1RAB9A
SCHEMBL3237770 0.81 SMN1; SMN2 (0.54) VCPCDC7DBF4NPC1RAB9A
SCHEMBL3229148 0.78 SMN1; SMN2 (0.54) VCPCDC7DBF4NPC1RAB9A
SCHEMBL13309918 0.77 ADORA1 (0.60) VCPADORA1ADORA2AKDM4EMEN1
SCHEMBL3450770 0.77 VCP (0.50) VCPCDC7DBF4NPC1RAB9A
SCHEMBL26806901 0.75 VCP (0.59) VCPCDC7DBF4NPC1RAB9A
SCHEMBL3453164 0.73 BPTF (0.58) ADORA1ADORA2ALMNAKDM4EMEN1
SCHEMBL3451581 0.73 ADORA1 (0.48) ADORA1ADORA2ALMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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 (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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS VCP 1375/4885CDC7 1790/4885DBF4 2497/4885

“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.