SCHEMBL7989393

SCHEMBL7989393

COCCOc1ccc2nc(C)c(C(C)=O)n2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 6/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
MDM2 Q00987 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.38
G6PD P11413 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHB3 P54753 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4794691 0.84 KMT2A (0.55) KMT2AALDH1A1GAAPOLBKDM4E
SCHEMBL7991577 0.82 LMNA (0.43) KMT2AALDH1A1GAAPOLBKDM4E
SCHEMBL10242673 0.74 KMT2A (0.61) KMT2AALDH1A1GAAPOLBKDM4E
SCHEMBL7964771 0.73 KMT2A (0.52) KMT2AALDH1A1GAAPOLBKDM4E
SCHEMBL6112913 0.72 ALDH1A1 (0.69) KMT2AALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL4256814 0.72 KMT2A (0.58) KMT2AALDH1A1GAAPOLBKDM4E
SCHEMBL4531748 0.69 KMT2A (0.54) KMT2AALDH1A1GAAPOLBKDM4E
SCHEMBL23655654 0.66 KDM4E (0.67) ALDH1A1GAAPOLBKDM4EMAPT
SCHEMBL933535 0.66 L3MBTL1 (0.75) ALDH1A1GAAPOLBMAPTLMNA
SCHEMBL4538242 0.66 KMT2A (0.57) KMT2AALDH1A1GAAPOLBKDM4E

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-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
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 216/4885ALDH1A1 2855/4885GAA 891/4885

“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.