SCHEMBL998557

SCHEMBL998557

CN1CCN(c2cnc(N)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 2/20 0.41
NOS1 P29475 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
PTK2B Q14289 2/20 0.40
ADRA2C P18825 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAP4K4 O95819 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5154235 0.82 ALDH1A1 (0.42) HRH3NOS1GAAMAPTALDH1A1
SCHEMBL15522284 0.81 GAA (0.46) TDP1HRH3NOS1KDM4EGAA
SCHEMBL24421948 0.81 NOS1 (0.37) NOS1GAAFFAR2
SCHEMBL20583187 0.81 GAA (0.45) HRH3NOS1KDM4EGAAMAPT
SCHEMBL24422290 0.81 HRH3 (0.39) HRH3NOS1KDM4EGAAMAPT
SCHEMBL11614593 0.79 DPP4 (0.45) HRH4TDP1MAPTSMN1; SMN2FFAR2
SCHEMBL25319083 0.79 DRD2 (0.40) HRH3NOS1
SCHEMBL184869 0.78 GAA (0.53) KDM4EGAAMAPTSMN1; SMN2
SCHEMBL20582980 0.76 HRH3 (0.42) HRH4HRH3NOS1KDM4EGAA
SCHEMBL20583346 0.75 MAP4K4 (0.40) NOS1KDM4EALDH1A1SMN1; SMN2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019515-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Dana-Farber Cancer Institute, Inc. (US) 2022-06-29 EP disclosed
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-24 US disclosed
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-24 US disclosed
US-11142507-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-12 US disclosed
US-11142507-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-12 US disclosed
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 US disclosed
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-20 US disclosed
US-7598391-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2009-10-06 US disclosed
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2009-08-27 US disclosed
US-20080139562-A1 Heteroaromatic Glucokinase Activators NOVO NORDISK A/S (DK) 2008-06-12 US disclosed
CN-101137631-A Heteroaromatic glucokinase activators NOVO NORDISK AS JEPPESEN LONE (US) 2008-03-05 CN disclosed
EP-1824835-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-08-29 EP disclosed
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes NOVO NORDISK A/S (DK) 2007-03-08 US disclosed
CN-1910166-A Heteroaryl ureas and their use as glucokinase activators NOVO NORDISK AS (DK) 2007-02-07 CN disclosed
EP-1723128-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-11-22 EP disclosed
WO-2006058923-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-06-08 WO disclosed
WO-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 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 (8 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-20080139562-A1 Heteroaromatic Glucokinase Activators GCK, GCKR, PDXK HRH4 3159/4885TDP1 4051/4885HRH3 3550/4885
US-11142507-B2 Inhibitors of cyclin-dependent kinases CDK1, CDK13, CDK3 HRH4 3298/4885TDP1 1428/4885HRH3 1757/4885
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 HRH4 3298/4885TDP1 1428/4885HRH3 1757/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 HRH4 3574/4885TDP1 3374/4885HRH3 3935/4885
US-20090216013-A1 e.g.1,1-Dicyclohexyl-3-[5-(pyridin-2-ylsulfanyl)-thiazol-2-yl]-urea; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 HRH4 3609/4885TDP1 2189/4885HRH3 4363/4885
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 HRH4 3298/4885TDP1 1428/4885HRH3 1757/4885
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 HRH4 3298/4885TDP1 1428/4885HRH3 1757/4885
US-20070054897-A1 1,1-Dicyclohexyl-3-thiazol-2-yl-urea, 3-(5-Chloro-thiazol-2-yl)-1,1-dicyclohexyl-urea, for example; useful for the management, treatment, control, or adjunct treatment of diseases, where increasing glucokinase activity is beneficial, in particular, type 2 diabetes GCK, GCKR, HK1 HRH4 3365/4885TDP1 1792/4885HRH3 4218/4885

“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.