SCHEMBL7978700

SCHEMBL7978700

CC(=O)c1c(C)nc2cc(Cl)ccn12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 6/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 5/20 0.43
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL19723682 0.86 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL6112657 0.84 KMT2A (0.64) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL23574175 0.84 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL4538242 0.79 KMT2A (0.57) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL7976885 0.78 MAPT (0.46) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL19723655 0.78 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL7974317 0.78 KMT2A (0.56) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL7981619 0.77 KMT2A (0.55) KMT2ASMN1; SMN2MAPTHTTMAPK1
SCHEMBL19723523 0.76 CYP2C9 (0.57) KMT2ASMN1; SMN2LMNAHTTNPC1
SCHEMBL19723781 0.76 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2LMNAMAPTHTT

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 216/4885SMN1; SMN2 3263/4885LMNA 1714/4885

“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.