SCHEMBL12376582

SCHEMBL12376582

CNC(=O)c1ccc(C(C)(C)C)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.53
GRM5 P41594 1/20 0.48
CA2 P00918 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CLK1 P49759 2/20 0.45
CLK2 P49760 2/20 0.45
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PLK1 P53350 5/20 0.42
MMP13 P45452 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL22387735 0.86 HDAC6 (0.61) HDAC6HDAC2HDAC8CLK1CLK2
SCHEMBL17816224 0.84 LMNA (0.48) HDAC6CLK1CLK2HDAC1SMN1; SMN2
SCHEMBL3550941 0.84 BAZ2B (0.51) BAZ2BGRM5CA2HDAC6HDAC2
SCHEMBL20224123 0.81 GRM5 (0.51) GRM5CLK1CLK2HPGDTP53
SCHEMBL15215455 0.81 CA12 (0.46) HDAC6CLK1CLK2EPHX2NR1H4
SCHEMBL24426198 0.80 KDM4E (0.42) CA2HDAC6CLK1CLK2EPHX2
SCHEMBL5366444 0.79 KCNJ1 (0.44) CLK1CLK2EPHX2NR1H4SMN1; SMN2
SCHEMBL1070876 0.79 P4HA1 (0.55) SMN1; SMN2HPGDMAPT
SCHEMBL17688886 0.79 HPGDS (0.50) GRM5SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL20249181 0.79 MMP13 (0.49) CA2CLK1CLK2SMN1; SMN2HPGD

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2020-09-08 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (9 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC BAZ2B 3679/4885GRM5 1553/4885CA2 1829/4885
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK BAZ2B 711/4885GRM5 2720/4885CA2 4405/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 BAZ2B 1695/4885GRM5 1520/4885CA2 1762/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK BAZ2B 1305/4885GRM5 1799/4885CA2 2400/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 BAZ2B 2932/4885GRM5 3504/4885CA2 1235/4885
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications DCK, TK1, DTYMK BAZ2B 890/4885GRM5 2705/4885CA2 4283/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 BAZ2B 1695/4885GRM5 1520/4885CA2 1762/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 BAZ2B 2932/4885GRM5 3504/4885CA2 1235/4885
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK BAZ2B 890/4885GRM5 2705/4885CA2 4283/4885

“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.