SCHEMBL3010306

SCHEMBL3010306

CCOC(=O)c1c(C)nc2[nH]ncc2c1-c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CDC25B P30305 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3006574 0.84 SMN1; SMN2 (0.66) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2997807 0.84 SMN1; SMN2 (0.63) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3003591 0.82 ALDH1A1 (0.47) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13521845 0.77 SMN1; SMN2 (0.55) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10728205 0.75 PDE4D (0.44) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10960291 0.75 MEN1 (0.50) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3000994 0.75 SMN1; SMN2 (0.52) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10960511 0.74 PDE4D (0.43) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29721440 0.73 CDC25B (0.54) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2598061 0.73 ALDH1A1 (0.45) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R LMNA 738/4885SMN1; SMN2 1739/4885MEN1 702/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R LMNA 738/4885SMN1; SMN2 1739/4885MEN1 702/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R LMNA 738/4885SMN1; SMN2 1739/4885MEN1 702/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R LMNA 738/4885SMN1; SMN2 1739/4885MEN1 702/4885

“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.