SCHEMBL2170816

SCHEMBL2170816

NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CCNA2 P20248 17/20 1.00
CDK1 P06493 17/20 1.00
CCNB1 P14635 17/20 1.00
CCNB2 O95067 16/20 1.00
CCNA1 P78396 16/20 1.00
CCNB3 Q8WWL7 16/20 1.00
CCNT1 O60563 2/20 1.00
CDK7 P50613 2/20 1.00
CDK9 P50750 2/20 1.00
CCNH P51946 2/20 1.00
CDK5 Q00535 2/20 1.00
ROCK2 O75116 1/20 1.00
CDK4 P11802 1/20 1.00
CCND1 P24385 1/20 1.00
CCNE1 P24864 1/20 1.00
GSK3B P49841 1/20 1.00
MNAT1 P51948 1/20 1.00
DYRK1A Q13627 1/20 1.00
CDK5R1 Q15078 1/20 1.00

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
SCHEMBL30123470 1.00 CDK2 (1.00) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL6790789 0.89 CDK2 (1.00) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL30151206 0.88 CDK2 (1.00) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL6792130 0.88 CDK2 (1.00) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL6791864 0.88 CDK2 (0.78) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL6796190 0.87 CDK2 (0.83) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL12589612 0.85 CDK2 (0.75) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL6791303 0.85 CDK2 (0.81) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL6792176 0.85 CDK2 (1.00) CDK2CCNA2CDK1CCNB1CCNB2
SCHEMBL6786266 0.85 CDK2 (0.79) CDK2CCNA2CDK1CCNB1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107904201-B Differentiation of human embryonic stem cells into the pancreatic endocrine lineage 詹森生物科技公司 2021-11-16 CN claimed
US-10421948-B2 Methods for making pancreatic endocrine cells JANSSEN BIOTECH, INC. (US) 2019-09-24 US claimed
US-20170355963-A1 DIFFERENTIATION OF HUMAN PLURIPOTENT STEM CELLS JANSSEN BIOTECH, INC. (US) 2017-12-14 US claimed
EP-2346988-B1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE JANSSEN BIOTECH INC (US) 2017-05-31 EP claimed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US claimed
EP-2136626-A1 MANNICH BASE N-OXIDE DRUGS State of Oregon acting by and through the Oregon State Board of Higher Education on behalf of the University of Oregon (US) 2009-12-30 EP claimed
WO-2008115499-A1 MANNICH BASE N-OXIDE DRUGS STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2008-09-25 WO claimed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US claimed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP claimed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 WO claimed
CN-107904201-B Differentiation of human embryonic stem cells into the pancreatic endocrine lineage 詹森生物科技公司 2021-11-16 CN disclosed
US-10421948-B2 Methods for making pancreatic endocrine cells JANSSEN BIOTECH, INC. (US) 2019-09-24 US disclosed
US-20170355963-A1 DIFFERENTIATION OF HUMAN PLURIPOTENT STEM CELLS JANSSEN BIOTECH, INC. (US) 2017-12-14 US disclosed
US-9752126-B2 Differentiation of human pluripotent stem cells JANSSEN BIOTECH, INC. (US) 2017-09-05 US disclosed
EP-2346988-B1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE JANSSEN BIOTECH INC (US) 2017-05-31 EP disclosed
WO-2009116840-A2 CHEMICAL REAGENTS REGULATING STEM CELL FATE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-09-24 WO disclosed
WO-2008115499-A1 MANNICH BASE N-OXIDE DRUGS STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2008-09-25 WO disclosed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 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 (2 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-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT CDK2 2460/4885CCNA2 2586/4885CDK1 3137/4885
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK CDK2 13/4885CCNA2 15/4885CDK1 4/4885

“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.