SCHEMBL4350852

SCHEMBL4350852

N#Cc1ccc(CN2CCC(NC(=O)c3cnc(OC4CCN(C(=O)O)CC4)s3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 20/20 0.62
PRKAB2 O43741 11/20 0.62
PRKAG1 P54619 11/20 0.62
PRKAA1 Q13131 11/20 0.62
PRKAG3 Q9UGI9 11/20 0.62
PRKAG2 Q9UGJ0 11/20 0.62
PRKAB1 Q9Y478 11/20 0.62
CYP3A4 P08684 1/20 0.62

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
SCHEMBL12199882 0.90 PRKAA2 (0.58) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2507821 0.90 PRKAA2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1037300 0.89 PRKAA2 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199887 0.88 PRKAA2 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1035248 0.88 PRKAA2 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199876 0.86 PRKAA2 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1036284 0.84 PRKAA2 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199879 0.84 PRKAA2 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1032980 0.82 PRKAA2 (0.66) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4434987 0.82 PRKAA2 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-9255085-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-08-20 US disclosed
US-9062052-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-01-08 US disclosed
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 US disclosed
US-8785449-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2014-05-29 US disclosed
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 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 (6 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-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885PRKAB2 8/4885PRKAG1 6/4885

“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.