SCHEMBL2909082

SCHEMBL2909082

CC(C)(C)C(=O)Nc1ccccc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.68
PDK2 Q15119 1/20 0.68
PDK3 Q15120 1/20 0.68
PDK4 Q16654 1/20 0.68
CETP P11597 1/20 0.61
HTT P42858 3/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
EGFR P00533 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL30806792 1.00 PDK1 (0.68) PDK1PDK2PDK3PDK4CETP
SCHEMBL19280535 0.89 PDK1 (0.68) PDK1PDK2PDK3PDK4CETP
SCHEMBL5706504 0.86 CETP (0.71) PDK1PDK2PDK3PDK4CETP
SCHEMBL14571971 0.84 PDK1 (0.62) PDK1PDK2PDK3PDK4HTT
SCHEMBL2087952 0.82 CETP (0.67) PDK1PDK2PDK3PDK4CETP
SCHEMBL6347970 0.81 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL30641363 0.81 PDK1 (0.68) PDK1PDK2PDK3PDK4HTT
SCHEMBL1179607 0.81 PDK1 (0.68) PDK1PDK2PDK3PDK4HTT
SCHEMBL2301094 0.78 CETP (0.68) PDK1PDK2PDK3PDK4CETP
SCHEMBL8243174 0.78 CETP (0.62) CETPHTTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
US-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
WO-2019149164-A1 ERBB/BTK INHIBITORS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2019-08-08 WO disclosed
US-8217172-B2 Solid forms of 1-ethyl-3-(5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzo[d]imidazol-2-yl)urea VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-10 US disclosed
US-8217172-B2 Solid forms of 1-ethyl-3-(5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzo[d]imidazol-2-yl)urea VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-10 US disclosed
US-8217172-B2 Solid forms of 1-ethyl-3-(5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzo[d]imidazol-2-yl)urea VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-10 US disclosed
CN-101925597-A Solid forms of 1-ethyl-3-(5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1h-benzo[d]imidazol-2-yl)urea VERTEX PHARMA 2010-12-22 CN disclosed
CN-101903376-A Process and intermediates for the production of aminobenzimidazole ureas VERTEX PHARMA 2010-12-01 CN disclosed
US-20090163715-A1 Intermediate in Production of [2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]Piperazine Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-25 US disclosed
US-20090163715-A1 Intermediate in Production of [2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]Piperazine Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-25 US disclosed
WO-2009076200-A2 SOLID FORMS OF 1-ETHYL-3-(5-(5-FLUOROPYRIDIN-3-YL)-7-(PYRIMIDIN-2-YL)-1H-BENZO[D]IMIDAZOL-2-YL)UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-18 WO disclosed
US-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-11 US disclosed
WO-2009061875-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-14 WO disclosed
WO-2009061875-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-14 WO disclosed
EP-1889827-A1 INTERMEDIATE IN PRODUCTION OF [2-(3,3,5,5-TETRAMETHYLCYCLOHEXYL)PHENYL]PIPERAZINE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP disclosed
EP-0619804-B1 HERBICIDAL ACYLATED AMINO-(PHENYL- OR PYRIDINYL- OR THIENYL-)-PHENYL DERIVATIVES DU PONT (US) 1996-05-22 EP disclosed
EP-0619804-A1 HERBICIDAL ACYLATED AMINO-(PHENYL- OR PYRIDINYL- OR THIENYL-)-PHENYL DERIVATIVES. DU PONT (US) 1994-10-19 EP disclosed
WO-1993011097-A1 HERBICIDAL ACYLATED AMINO-(PHENYL- OR PYRIDINYL- OR THIENYL-)-PHENYL DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-10 WO 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 (3 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-20090163715-A1 Intermediate in Production of [2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]Piperazine Compound ICAM1, HRH1, HRH2 PDK1 1233/4885PDK2 1441/4885PDK3 2372/4885
US-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS TOP2B, TOP1, TOP2A PDK1 2442/4885PDK2 1408/4885PDK3 1648/4885
US-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 PDK1 1269/4885PDK2 2659/4885PDK3 3440/4885

“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.