SCHEMBL20213686

SCHEMBL20213686

Nc1n[nH]c2nc[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ADORA2A P29274 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
XDH P47989 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
ACHE P22303 1/20 0.40
GDA Q9Y2T3 1/20 0.40
DYRK1A Q13627 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SRC P12931 1/20 0.36
PARP1 P09874 5/20 0.36
PDPK1 O15530 2/20 0.36

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
SCHEMBL2902002 0.77 TSHR (0.43) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL12535705 0.77 PDPK1 (0.49) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL6907428 0.77 LMNA (0.43) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL22292592 0.74 LMNA (0.41) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL30947487 0.73 DYRK1A (0.40) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL22488626 0.73 CYP1A2 (0.43) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL18555761 0.73 BCAT2 (0.42) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL408976 0.70 DYRK1A (0.55) LMNATSHRRAB9ASMN1; SMN2DYRK1A
SCHEMBL28918223 0.70 DYRK1A (0.38) LMNATSHRADORA2ASLC6A4ADRA1A
SCHEMBL12540751 0.70 ACHE (0.35) LMNATSHRADORA2ASLC6A4ADRA1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091490-B2 3-amino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-ones as cyclin dependent kinase inhibitors MEDIZINISCHE UNIVERSITÄT INNSBRUCK (AT) 2021-08-17 US disclosed
US-11091490-B2 3-amino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-ones as cyclin dependent kinase inhibitors MEDIZINISCHE UNIVERSITÄT INNSBRUCK (AT) 2021-08-17 US disclosed
US-20200247809-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS ONCOTYROL CENTER FOR PERSONALIZED CANCER MEDICINE GMBH (AT) 2020-08-06 US disclosed
US-20200247809-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS ONCOTYROL CENTER FOR PERSONALIZED CANCER MEDICINE GMBH (AT) 2020-08-06 US disclosed
EP-3548488-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS Oncotyrol Center for Personalized Cancer Medicine GmbH (AT) 2019-10-09 EP disclosed
EP-3548488-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS Oncotyrol Center for Personalized Cancer Medicine GmbH (AT) 2019-10-09 EP disclosed
WO-2018099952-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS ONCOTYROL CENTER FOR PERSONALIZED CANCER MEDICINE GMBH (AT) 2018-06-07 WO disclosed
WO-2018099952-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS ONCOTYROL CENTER FOR PERSONALIZED CANCER MEDICINE GMBH (AT) 2018-06-07 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-11091490-B2 3-amino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-ones as cyclin dependent kinase inhibitors CDK4, CDK2, CDK3 LMNA 3296/4885TSHR 4198/4885ADORA2A 1452/4885
US-20200247809-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK3, CDK4, CDK2 LMNA 2773/4885TSHR 4482/4885ADORA2A 1775/4885

“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.