SCHEMBL143131

SCHEMBL143131

CC(C)(C)C1CC(O)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
RIPK1 Q13546 1/20 0.39
DPP4 P27487 12/20 0.38
DPP8 Q6V1X1 12/20 0.38
DPP9 Q86TI2 12/20 0.38
PIK3CD O00329 4/20 0.38
DPP7 Q9UHL4 1/20 0.33
FAP Q12884 1/20 0.33

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
SCHEMBL20973146 0.86 ATM (0.43) ATMRIPK1DPP4DPP8DPP9
SCHEMBL20973810 0.86 ATM (0.43) ATMRIPK1DPP4DPP8DPP9
SCHEMBL527964 0.82 MMP2 (0.39) ATMDPP4DPP8DPP9
SCHEMBL75974 0.81 RIPK1 (0.33) ATMRIPK1DPP4
SCHEMBL28455113 0.80 PLA2G1B (0.30)
SCHEMBL28763852 0.78 DPP4 (0.38) DPP4DPP8DPP9FAP
SCHEMBL27441852 0.78 CHRM2 (0.47) ATMDPP4DPP8DPP9PIK3CD
SCHEMBL4398466 0.78 LMNA (0.36) RIPK1DPP4DPP8DPP9DPP7
SCHEMBL5569326 0.77 ATM (0.36) ATMRIPK1DPP4DPP8DPP9
SCHEMBL29163837 0.76 UCHL1 (0.31) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715892-A Quaternary ammonium cation substituted compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-03-15 CN disclosed
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-9458151-B2 Isothiazole derivatives as PIM kinase inhibitors and preparation methods and use in medicinal manufacture thereof Jikai Biosciences, Inc. (CN) 2016-10-04 US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 US disclosed
EP-2970202-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
US-9187472-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-17 US disclosed
US-20150284378-A1 ISOTHIAZOLE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF Jikai Biosciences, Inc. 2015-10-08 US disclosed
EP-2920171-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014164558-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-09 WO disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
WO-2014075392-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO disclosed
US-20130303511-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 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 (4 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 ATM 652/4885RIPK1 475/4885DPP4 2042/4885
US-20130303511-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT ATM 3489/4885RIPK1 2599/4885DPP4 2512/4885
US-20150284378-A1 ISOTHIAZOLE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF PIM1, PIM2, PIM3 ATM 309/4885RIPK1 249/4885DPP4 960/4885
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK ATM 478/4885RIPK1 954/4885DPP4 2429/4885

“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.