SCHEMBL7975453

SCHEMBL7975453

CC(=O)c1c(C)nc2cnccn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
BRAF P15056 1/20 0.43
KDM4E B2RXH2 4/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
TP53 P04637 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1965016 0.87 KMT2A (0.44) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL1965048 0.80 MAPK1 (0.64) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL29511229 0.77 BRAF (0.49) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL15688347 0.75 BRAF (0.48) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL196599 0.75 KMT2A (1.00) KMT2AKDM4EGAAALDH1A1MAPK1
SCHEMBL8315301 0.75 KMT2A (1.00) KMT2AKDM4EGAAALDH1A1MAPK1
SCHEMBL11005215 0.74 BRAF (0.50) KMT2ABRAFKDM4EGAAALDH1A1
SCHEMBL25224454 0.74 ALDH1A1 (0.55) KDM4EGAAALDH1A1MAPK1LMNA
SCHEMBL6112657 0.73 KMT2A (0.64) KMT2AKDM4EGAAALDH1A1LMNA
SCHEMBL657561 0.73 KMT2A (0.59) KMT2AKDM4EGAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 KMT2A 216/4885BRAF 723/4885KDM4E 483/4885

“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.