SCHEMBL14945707

SCHEMBL14945707

Cc1csc2c1c(=O)n(CC=O)c(=O)n2CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.73
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2C9 P11712 1/20 0.60
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53

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
SCHEMBL14944986 0.85 ADORA2B (0.79) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL14944988 0.84 ADORA2B (0.73) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL21850057 0.83 ADORA2B (1.00) ADORA2B
SCHEMBL14945693 0.78 ADORA2B (0.65) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL14945704 0.77 ADORA2B (0.73) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL14945692 0.76 ADORA2B (0.66) ADORA2B
SCHEMBL14945495 0.73 ADORA2B (0.59) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL2773610 0.72 ADORA2B (1.00) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL1883466 0.69 ERCC5 (1.00) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL18097392 0.69 ADORA2B (0.75) ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
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-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-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-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
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (5 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 ADORA2B 3395/4885CYP1A2 1009/4885CYP3A4 1716/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ADORA2B 3395/4885CYP1A2 1009/4885CYP3A4 1716/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885CYP1A2 1009/4885CYP3A4 1716/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885CYP1A2 1009/4885CYP3A4 1716/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADORA2B 3395/4885CYP1A2 1009/4885CYP3A4 1716/4885

“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.