SCHEMBL3361203

SCHEMBL3361203

[O-][n+]1cnccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 3/20 0.36
NTSR1 P30989 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
UHRF1 Q96T88 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
AURKA O14965 1/20 0.34
CDK1 P06493 1/20 0.34
LYN P07948 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL31088294 0.69 HTT (0.44) NPC1RAB9AKDM4EHTTNTSR1
SCHEMBL316983 0.69 HTT (0.44) NPC1RAB9AKDM4EHTTNTSR1
SCHEMBL11590470 0.65 ATM (0.35) NOTUMNPC1RAB9AKDM4EHTT
SCHEMBL4144064 0.64 ALDH1A1 (0.44) NPC1RAB9AKDM4EHTTNTSR1
SCHEMBL308340 0.64
SCHEMBL10534630 0.64
SCHEMBL1925010 0.64 KDM4E (0.37) NOTUMNPC1RAB9AKDM4EHTT
SCHEMBL1312790 0.63 NOTUM (1.00) NOTUMNPC1RAB9AKDM4EATAD2
SCHEMBL124353 0.63 NOTUM (1.00) NOTUMNPC1RAB9AKDM4EATAD2
SCHEMBL23708666 0.62 CXCR2 (0.33) NPC1RAB9AKDM4EHTTNTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
CN-102317266-A 6-phenylpyrimidinones as PIM modulators EXELIXIS INC 2012-01-11 CN disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 NOTUM 4628/4885NPC1 2501/4885RAB9A 2601/4885

“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.