SCHEMBL12352016

SCHEMBL12352016

CCCCOc1c(C)nc(N)nc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.49
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA1 P78396 2/20 0.45
PIN1 Q13526 1/20 0.45
TLR8 Q9NR97 10/20 0.43
TLR7 Q9NYK1 4/20 0.43
SLC2A1 P11166 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL12352102 0.84 DHFR (0.46) DHFRCDK1CCNB1CCNA2CDK2
SCHEMBL15308366 0.80 DHFR (0.40) DHFRCDK1CCNB1TLR8TLR7
SCHEMBL19146529 0.79 MCHR1 (0.40) DHFRCDK1CCNB1CCNA2CDK2
SCHEMBL19686248 0.79 CDK1 (0.53) DHFRCDK1CCNB1CCNA2CDK2
SCHEMBL12936066 0.79 DHFR (0.39) DHFRTLR8TLR7LMNA
SCHEMBL12352015 0.77 LMNA (0.37) LMNAHTTHSD17B10CYP1A2
SCHEMBL20421683 0.77 TLR8 (0.50) DHFRCDK1CCNB1CCNA2CDK2
SCHEMBL808604 0.75 CDK1 (0.47) DHFRCDK1CCNB1CCNA2CDK2
SCHEMBL12352386 0.75 DHFR (0.36) DHFRCDK1CCNB1TLR8TLR7
SCHEMBL2990823 0.73 CDK1 (0.46) CDK1CCNB1CCNA2CDK2CCNA1

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-8952025-B2 Multifunctional radical quenchers and their uses ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-10 US disclosed
US-20130267546-A1 Multifunctional Radical Quenchers and Their Uses Arizona Board of Regents, a body corporate of the State of Arizona acting for and on behalf of Ari (US) 2013-10-10 US disclosed
WO-2011103536-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE ARIZONA BOARD OF REGENTS (US) 2011-08-25 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-20130267546-A1 Multifunctional Radical Quenchers and Their Uses SQOR, GSR, GPX4 DHFR 419/4885CDK1 2750/4885CCNB1 2709/4885

“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.