SCHEMBL14945682

SCHEMBL14945682

CCc1sc2c(c1C)c(=O)n(CC=O)c(=O)n2Cc1ccc2ccn(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
MAPT P10636 1/20 0.38
ADORA2B P29275 7/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL14945678 0.88 MEN1 (0.48) TP53MAPTADORA2BMEN1KMT2A
SCHEMBL14945681 0.86 KMT2A (0.45) TP53MAPTMEN1KMT2ALMNA
SCHEMBL14948750 0.84 MEN1 (0.56) TP53MAPTADORA2BMEN1KMT2A
SCHEMBL14945679 0.82 ADORA2B (0.39) TP53MAPTADORA2BADORA2AADORA1
SCHEMBL14944989 0.73 MEN1 (0.70) TP53MAPTADORA2BMEN1KMT2A
SCHEMBL29453891 0.73 KMT2A (0.59) TP53MAPTADORA2BMEN1KMT2A
SCHEMBL14936764 0.73 KMT2A (0.59) TP53MAPTADORA2BMEN1KMT2A
SCHEMBL14948697 0.69 MEN1 (0.53) TP53ADORA2BMEN1KMT2ALMNA
SCHEMBL14945646 0.66 ADORA2B (0.36) TP53MAPTADORA2BADORA2AADORA1
SCHEMBL14945692 0.64 ADORA2B (0.66) ADORA2B

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-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (3 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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TP53 3699/4885MAPT 2490/4885ADORA2B 3395/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TP53 3699/4885MAPT 2490/4885ADORA2B 3395/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TP53 3699/4885MAPT 2490/4885ADORA2B 3395/4885

“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.