SCHEMBL12199818

SCHEMBL12199818

Cc1ccc(N2CCC(Oc3ccc4nc(C(=O)NC5CCN(C(=O)c6ccncc6)CC5)oc4c3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
AR P10275 1/20 0.38
HTT P42858 3/20 0.37
HRH3 Q9Y5N1 4/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
MAPT P10636 1/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL12199809 0.92 PRKAA2 (0.52) PRKAA2CCNE1CDK2
SCHEMBL12226758 0.91 PRKAA2 (0.43) PRKAA2ALDH1A1GAAEPHX2AR
SCHEMBL12199813 0.90 PRKAA2 (0.55) PRKAA2AR
SCHEMBL12199804 0.88 DRD4 (0.44) PRKAA2ALDH1A1GAA
SCHEMBL4403497 0.88 PRKAA2 (0.44) PRKAA2ALDH1A1GAAEPHX2HRH3
SCHEMBL12199795 0.86 GPR119 (0.50) ALDH1A1HRH3MAPT
SCHEMBL12199810 0.86 FLT3 (0.41) PRKAA2ARHRH3MAPT
SCHEMBL4403528 0.85 PRKAA2 (0.44) PRKAA2ALDH1A1GAAEPHX2HRH3
SCHEMBL2510792 0.85 PRKAA2 (0.50) PRKAA2EPHX2
SCHEMBL2507385 0.83 PRKAA2 (0.55) PRKAA2EPHX2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
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-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 US disclosed
US-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 (8 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 PRKAA2 413/4885ALDH1A1 804/4885GAA 1032/4885
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885ALDH1A1 1247/4885GAA 1319/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 PRKAA2 413/4885ALDH1A1 804/4885GAA 1032/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885ALDH1A1 1247/4885GAA 1319/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885ALDH1A1 1247/4885GAA 1319/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885ALDH1A1 1247/4885GAA 1319/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 PRKAA2 3/4885ALDH1A1 1247/4885GAA 1319/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS PRKAA2 356/4885ALDH1A1 397/4885GAA 975/4885

“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.