SCHEMBL744450

SCHEMBL744450

N#Cc1cnc2[nH]c(N)nc(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.39
HTT P42858 1/20 0.39
XDH P47989 4/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
VCP P55072 1/20 0.35
TYMS P04818 2/20 0.34
IDH1 O75874 1/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHEK1 O14757 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.33
MAP4K4 O95819 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL17959867 0.76 TYMS (0.40) TYMS
SCHEMBL744451 0.76 CYP1A2 (0.48) ATICHTTXDHKDM4EALDH1A1
SCHEMBL7214036 0.69 HTT (0.49) HTTXDHKDM4EALDH1A1LMNA
SCHEMBL8326499 0.68 EGFR (0.43) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL29626963 0.68 HPGDS (0.36) HTTXDHKDM4EALDH1A1LMNA
SCHEMBL31307016 0.68 GSK3B (0.51) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL21988135 0.68 GSK3B (0.51) HTTKDM4EALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL21988060 0.67 GSK3B (0.50) HTTKDM4EALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL30279704 0.67 GSK3B (0.50) HTTKDM4EALDH1A1LMNAGAA
Xanthopterin SCHEMBL2489021 0.66 ALDH1A1 (0.53) XDHKDM4EALDH1A1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-23 US claimed
US-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-15 US claimed
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS NORTH CAROLINA AT CHAPEL HILL, THE UNIVERSITY OF 2011-09-15 US claimed
EP-2341906-A2 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS The University of North Carolina At Chapel Hill (US) 2011-07-13 EP claimed
EP-2341911-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS The University of North Carolina At Chapel Hill (US) 2011-07-13 EP claimed
WO-2010039997-A9 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-05 WO claimed
WO-2010051127-A2 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-06 WO claimed
WO-2010039997-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-04-08 WO claimed
US-20220280519-A1 COMBINATIONS OF AGENTS TO TREAT HEMATOLOGICAL MALIGNANCIES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-09-08 US disclosed
EP-3718560-A2 CYCLIN DEPENDENT KINASE INHIBITORS AND METHODS OF USE The University of North Carolina at Chapel Hill (US) 2020-10-07 EP disclosed
EP-3406260-B1 CYCLIN DEPENDENT KINASE INHIBITORS AND METHODS OF USE UNIV NORTH CAROLINA CHAPEL HILL (US) 2020-09-23 EP disclosed
US-20200054639-A1 COMBINATIONS OF AGENTS TO TREAT HEMATOLOGICAL MALIGNANCIES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-02-20 US disclosed
EP-3406260-A2 CYCLIN DEPENDENT KINASE INHIBITORS AND METHODS OF USE The University of North Carolina at Chapel Hill (US) 2018-11-28 EP disclosed
EP-3025724-B1 CYCLIN DEPENDENT KINASE INHIBITORS AND METHODS OF USE UNIV NORTH CAROLINA CHAPEL HILL (US) 2018-07-11 EP disclosed
EP-2341906-A2 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS The University of North Carolina At Chapel Hill (US) 2011-07-13 EP disclosed
EP-2341911-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS The University of North Carolina At Chapel Hill (US) 2011-07-13 EP disclosed
WO-2010039997-A9 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-05 WO disclosed
WO-2010132725-A2 CYCLIN DEPENDENT KINASE INHIBITORS AND METHODS OF USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-11-18 WO disclosed
WO-2010051127-A2 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-06 WO disclosed
WO-2010039997-A2 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-04-08 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 (5 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-20200054639-A1 COMBINATIONS OF AGENTS TO TREAT HEMATOLOGICAL MALIGNANCIES MCL1, MPL, BCL9 ATIC 3576/4885HTT 4572/4885XDH 1739/4885
US-20110224227-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A ATIC 2937/4885HTT 1718/4885XDH 3456/4885
US-20110224221-A1 HEMATOPOIETIC PROTECTION AGAINST IONIZING RADIATION USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK4, CDK6, CDKN1A ATIC 2286/4885HTT 1583/4885XDH 3556/4885
US-20150111896-A1 HEMATOPOIETIC PROTECTION AGAINST CHEMOTHERAPEUTIC COMPOUNDS USING SELECTIVE CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS CDK6, CDK4, CDKN1A ATIC 2937/4885HTT 1718/4885XDH 3456/4885
US-20220280519-A1 COMBINATIONS OF AGENTS TO TREAT HEMATOLOGICAL MALIGNANCIES MCL1, MPL, BCL9 ATIC 3576/4885HTT 4572/4885XDH 1739/4885

“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.