SCHEMBL16780873

SCHEMBL16780873

CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM1A O60341 5/20 0.51
MAOB P27338 3/20 0.51
PDE4B Q07343 1/20 0.47
MAOA P21397 2/20 0.45
NTRK1 P04629 4/20 0.44
RORC P51449 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
JAK1 P23458 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 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
SCHEMBL13858621 1.00 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL15716485 1.00 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL13858620 1.00 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL2012023 0.93 KMT2A (0.48) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL1986245 0.93 KMT2A (0.48) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL13461272 0.90 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL13434397 0.90 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL23369466 0.90 NTRK1 (0.49) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL21622314 0.90 NTRK1 (0.49) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL28046375 0.90 KMT2A (0.45) KMT2AL3MBTL1KDM1AMAOBPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds ARRAY BIOPHARMA INC. (US) 2020-12-01 US disclosed
CN-107857755-B N-pyrrolidinyl, N' -pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TRKA kinase inhibitors 阵列生物制药公司 2020-10-27 CN disclosed
EP-3409670-B1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-09-09 EP disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
EP-3409670-A1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-12-05 EP disclosed
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-11-22 US disclosed
US-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2018-06-28 US disclosed
US-9896435-B2 N-pyrrolidinyl,N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-20 US disclosed
US-9878997-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-01-30 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
US-20160280682-A1 N-PYRROLIDINYL,N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 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 (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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP KMT2A 4294/4885L3MBTL1 3496/4885KDM1A 2107/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK KMT2A 3907/4885L3MBTL1 1984/4885KDM1A 1954/4885
US-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS RNMT, MTAP, GMPS KMT2A 3460/4885L3MBTL1 366/4885KDM1A 3600/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 KMT2A 3443/4885L3MBTL1 3234/4885KDM1A 2668/4885
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK KMT2A 3907/4885L3MBTL1 1984/4885KDM1A 1954/4885
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP KMT2A 4272/4885L3MBTL1 3504/4885KDM1A 2018/4885
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK KMT2A 3907/4885L3MBTL1 1984/4885KDM1A 1954/4885
US-20160280682-A1 N-PYRROLIDINYL,N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, EDNRA KMT2A 4331/4885L3MBTL1 3640/4885KDM1A 2280/4885
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds RNMT, MTAP, GMPS KMT2A 3460/4885L3MBTL1 366/4885KDM1A 3600/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 KMT2A 3123/4885L3MBTL1 4253/4885KDM1A 2034/4885

“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.