SCHEMBL1721767

SCHEMBL1721767

Cc1ccc(NC(=O)C(C)(C)C)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.68
MAPT P10636 3/20 0.68
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 12/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 2/20 0.51
GLA P06280 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.49
KDR P35968 1/20 0.48
PAX8 Q06710 1/20 0.48

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
SCHEMBL17409818 0.86 RAB9A (0.64) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL13656094 0.84 RAB9A (0.66) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL18768419 0.83 RAB9A (0.60) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL22914464 0.83 RAB9A (0.48) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL15201632 0.82 DEGS1 (0.60) RAB9ANPC1KDRPAX8KLF5
SCHEMBL2636192 0.81 RAB9A (0.78) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL1989892 0.81 KDR (0.47) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1163357 0.81 PTGS1 (0.54) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2033431 0.81 RAB9A (0.55) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL28455 0.81 PTK2 (0.67) RAB9AMAPTNPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 US disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 US disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-24 US disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed
EP-0333185-B1 Cyan dye-forming coupler and silver halide photosensitive material containing the same FUJI PHOTO FILM CO LTD (JP) 1994-12-28 EP disclosed
US-5260177-A Cyan dye-forming coupler, pivaloylacetoanilide yellow coupler, pyrazoloazole magenta coupler FUJI PHOTO FILM CO., LTD. (JP) 1993-11-09 US disclosed
EP-0333185-A2 Cyan dye-forming coupler and silver halide photosensitive material containing the same FUJI PHOTO FILM CO., LTD. (JP) 1989-09-20 EP 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 (10 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX RAB9A 3370/4885MAPT 1437/4885KDM4E 2714/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX RAB9A 2958/4885MAPT 1801/4885KDM4E 1709/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2101/4885MAPT 4509/4885KDM4E 4156/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 RAB9A 1860/4885MAPT 4570/4885KDM4E 3663/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2101/4885MAPT 4509/4885KDM4E 4156/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 RAB9A 2101/4885MAPT 4509/4885KDM4E 4156/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2101/4885MAPT 4509/4885KDM4E 4156/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 RAB9A 2011/4885MAPT 3881/4885KDM4E 4026/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX RAB9A 3370/4885MAPT 1437/4885KDM4E 2714/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX RAB9A 3370/4885MAPT 1437/4885KDM4E 2714/4885

“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.