SCHEMBL8828593

SCHEMBL8828593

CC(C)(C)C(=O)c1cccnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TDP1 Q9NUW8 2/20 0.52
POLB P06746 2/20 0.50
EGFR P00533 2/20 0.46
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL6710903 0.86 LMNA (0.58) LMNASMN1; SMN2TDP1POLBEGFR
SCHEMBL22898321 0.80 SMN1; SMN2 (0.51) LMNASMN1; SMN2TDP1POLBEGFR
SCHEMBL13543163 0.79 KDM4E (0.42) LMNASMN1; SMN2TDP1NPC1L3MBTL1
SCHEMBL2625484 0.79 P2RX7 (0.56) LMNASMN1; SMN2TDP1EGFRNPC1
SCHEMBL8242559 0.79 TDP1 (0.45) LMNASMN1; SMN2TDP1NPC1HTT
SCHEMBL29894130 0.79 LMNA (0.68) LMNASMN1; SMN2POLBEGFRNPC1
SCHEMBL427326 0.79 LMNA (0.68) LMNASMN1; SMN2POLBEGFRNPC1
SCHEMBL950218 0.78 LMNA (0.73) LMNASMN1; SMN2TDP1POLBEGFR
SCHEMBL13542934 0.78 NAPRT (0.61) LMNASMN1; SMN2TDP1POLBNPC1
SCHEMBL13543168 0.78 NAPRT (0.61) LMNASMN1; SMN2TDP1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 US disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 US disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 US disclosed
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-11-17 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2013-08-29 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 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-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF BROX, OAT, CAT LMNA 4182/4885SMN1; SMN2 4315/4885TDP1 4236/4885
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT LMNA 3838/4885SMN1; SMN2 3356/4885TDP1 1393/4885
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 LMNA 3309/4885SMN1; SMN2 4098/4885TDP1 1835/4885
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP LMNA 3484/4885SMN1; SMN2 3208/4885TDP1 2063/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885SMN1; SMN2 4705/4885TDP1 3315/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP LMNA 3484/4885SMN1; SMN2 3208/4885TDP1 2063/4885
US-20160332991-A1 PYRAZOLYL PYRIMIDINAMINE COMPOUND AND APPLICATION THEREOF CTRC, APRT, MASTL LMNA 796/4885SMN1; SMN2 2746/4885TDP1 3649/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885SMN1; SMN2 4705/4885TDP1 3315/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885SMN1; SMN2 4705/4885TDP1 3315/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885SMN1; SMN2 4705/4885TDP1 3315/4885

“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.