SCHEMBL7964771

SCHEMBL7964771

COC(=O)c1ccc2nc(C)c(C(C)=O)n2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRIM33 Q9UPN9 8/20 0.43
TRIM24 O15164 3/20 0.43
HTR6 P50406 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL15049916 0.82 KMT2A (0.48) KMT2ABRD4ALDH1A1POLBGAA
SCHEMBL15289941 0.81 BRD4 (0.45) KMT2ABRD4ALDH1A1KDM4ERAB9A
SCHEMBL13666835 0.81 BRD4 (0.45) KMT2ABRD4ALDH1A1KDM4ERAB9A
SCHEMBL7976305 0.80 KMT2A (0.50) KMT2ABRD4ALDH1A1POLBGAA
SCHEMBL4794691 0.79 KMT2A (0.55) KMT2AALDH1A1POLBGAAKDM4E
SCHEMBL7981619 0.79 KMT2A (0.55) KMT2ABRD4ALDH1A1POLBGAA
SCHEMBL10242673 0.79 KMT2A (0.61) KMT2AALDH1A1POLBGAAKDM4E
SCHEMBL15050025 0.77 AKT1 (0.58) KMT2ABRD4ALDH1A1KDM4ERAB9A
SCHEMBL11243476 0.77 TRIM33 (0.42) KMT2ABRD4ALDH1A1GAAKDM4E
SCHEMBL6112913 0.76 ALDH1A1 (0.69) KMT2AALDH1A1POLBGAARAB9A

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 216/4885BRD4 70/4885ALDH1A1 2855/4885

“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.