SCHEMBL2383036

SCHEMBL2383036

O=C(O)c1ccnc(CNC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 12/20 0.46
KDM5C P41229 9/20 0.46
KDM4A O75164 5/20 0.45
KDM5A P29375 5/20 0.45
KDM6B O15054 3/20 0.45
KDM2B Q8NHM5 1/20 0.45
KDM4C Q9H3R0 4/20 0.44
KDM4E B2RXH2 4/20 0.44
KDM4D Q6B0I6 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
KDM3A Q9Y4C1 2/20 0.44
ALKBH5 Q6P6C2 2/20 0.44
FTO Q9C0B1 2/20 0.44
TET3 O43151 1/20 0.44
BBOX1 O75936 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ASPH Q12797 1/20 0.44
TET2 Q6N021 1/20 0.44
KDM7A Q6ZMT4 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
SCHEMBL16292701 0.83 KDM5C (0.60) KDM5BKDM5CALDH1A1SORT1
SCHEMBL828103 0.81 KDM5C (0.49) KDM5BKDM5CKDM4EALDH1A1MAPT
SCHEMBL12252466 0.80 KMT2A (0.51) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL16925971 0.80 KDM5B (0.51) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL16293697 0.78 KDM5C (0.47) KDM5BKDM5CKDM4AKDM4EALDH1A1
SCHEMBL12252602 0.78 L3MBTL1 (0.47) ALDH1A1MAPTGABRPGABRDGABRA1
SCHEMBL16292440 0.77 KDM5C (0.57) KDM5BKDM5CKDM4EALDH1A1MAPT
SCHEMBL23989390 0.76 KDM4C (0.50) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL30100697 0.76 KDM4C (0.50) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL508770 0.76 ACACB (0.46) KDM5BKDM5CKDM4AKDM5AKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 US disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 US disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 US disclosed
EP-2331510-B1 SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) AND THEIR USE IN METHOD OF LABELLING ION BEAM APPLIC SA (BE) 2013-11-06 EP disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
WO-2010034931-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS-BIO INTERNATIONAL (FR) 2010-04-01 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG KDM5B 2669/4885KDM5C 2520/4885KDM4A 2892/4885

“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.