SCHEMBL4548022

SCHEMBL4548022

CC1(c2ccccc2)C(=O)Nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
PDK2 Q15119 1/20 0.60
PDK4 Q16654 1/20 0.60
HTR6 P50406 6/20 0.50
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
KCNH2 Q12809 1/20 0.46
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL18197230 1.00 LMNA (0.61) LMNAMMP2MMP9PDK2PDK4
SCHEMBL13231955 0.84 LMNA (0.48) LMNAMMP2MMP9PDK2PDK4
SCHEMBL10826521 0.80 HTR6 (0.61) LMNAMMP2MMP9HTR6MAPT
SCHEMBL13732787 0.80 HTR6 (0.59) LMNAMMP2MMP9PDK2PDK4
SCHEMBL16107692 0.80 HTR6 (0.56) LMNAMMP2MMP9PDK2PDK4
SCHEMBL3865758 0.78 MMP2 (0.56) LMNAMMP2MMP9PDK2PDK4
SCHEMBL13431417 0.77 HTR6 (0.56) LMNAMMP2MMP9HTR6MMP3
SCHEMBL2715686 0.76 LMNA (1.00) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL319934 0.75 PDK2 (1.00) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL29518706 0.75 PDK2 (1.00) LMNAPDK2PDK4CHRM2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436017-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2019-04-25 US disclosed
US-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2019-04-25 US disclosed
EP-3436017-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2019-02-06 EP disclosed
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
WO-2017166104-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
WO-2017166104-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
WO-2017172507-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-10-05 WO disclosed
US-9029080-B2 Screening assay for insecticides BASF SE (DE) 2015-05-12 US disclosed
WO-2015038778-A1 SUBSTITUTED UREA EIF2α KINASE ACTIVATORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-03-19 WO disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20110263585-A1 Screening Assay for Insecticides BASF SE (DE) 2011-10-27 US disclosed
US-20110263585-A1 Screening Assay for Insecticides BASF SE (DE) 2011-10-27 US disclosed
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
CN-1157822-A Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-08-27 CN disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 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 (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-20190119278-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA LMNA 3136/4885MMP2 2703/4885MMP9 1432/4885
US-10544147-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA LMNA 3136/4885MMP2 2703/4885MMP9 1432/4885
US-20110263585-A1 Screening Assay for Insecticides DDT, OSBP2, CDS2 LMNA 3594/4885MMP2 2075/4885MMP9 4674/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT LMNA 448/4885MMP2 3649/4885MMP9 4179/4885

“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.