SCHEMBL12199847

SCHEMBL12199847

Cc1ccc(N2CCC(Oc3ccc4nc(C(=O)NC5CCN(Cc6ccncc6)CC5)sc4c3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
PRKAA2 P54646 1/20 0.45
DRD4 P21917 2/20 0.44
CCR1 P32246 2/20 0.44
CCR3 P51677 2/20 0.44
LTA4H P09960 2/20 0.42
KCNH2 Q12809 2/20 0.42
UTS2R Q9UKP6 2/20 0.42
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
MAPT P10636 1/20 0.41
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL2510687 0.91 DRD4 (0.47) MAOBMAOAPRKAA2DRD4CCR1
SCHEMBL12199859 0.91 PRKAA2 (0.52) MAOBMAOAPRKAA2UTS2R
SCHEMBL4403508 0.87 UTS2R (0.54) PRKAA2DRD4UTS2R
SCHEMBL4403534 0.86 UTS2R (0.54) PRKAA2DRD4UTS2R
SCHEMBL14649234 0.85 MAOB (0.52) MAOBMAOAPRKAA2UTS2RFLT3
SCHEMBL4403523 0.84 NPC1 (0.50) MAOBMAOAPRKAA2DRD4KIT
SCHEMBL12199804 0.84 DRD4 (0.44) MAOBMAOAPRKAA2DRD4KIT
SCHEMBL4405698 0.83 DRD4 (0.47) MAOBMAOAPRKAA2DRD4KCNH2
SCHEMBL2509533 0.83 PRKAA2 (0.50) PRKAA2DRD4UTS2R
SCHEMBL12199848 0.82 GPR119 (0.50) MAOBMAOAMCHR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (7 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 MAOB 441/4885MAOA 444/4885PRKAA2 413/4885
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOB 2083/4885MAOA 2092/4885PRKAA2 3/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOB 2083/4885MAOA 2092/4885PRKAA2 3/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOB 2083/4885MAOA 2092/4885PRKAA2 3/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOB 2083/4885MAOA 2092/4885PRKAA2 3/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 MAOB 2083/4885MAOA 2092/4885PRKAA2 3/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS MAOB 821/4885MAOA 564/4885PRKAA2 356/4885

“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.