SCHEMBL20214280

SCHEMBL20214280

O=c1[nH]c(Cc2ccc(Br)cc2)nc2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.43
RECQL P46063 1/20 0.42
PLK4 O00444 1/20 0.41
PAK4 O96013 1/20 0.41

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
SCHEMBL31716910 0.74 KMT2A (0.80) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7887065 0.74 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL20213747 0.73 GAA (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL7882599 0.73 PDE9A (0.52) ALDH1A1SMN1; SMN2KMT2AHTTGAA
SCHEMBL7887026 0.71 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL7887063 0.70 AR (0.49) ALDH1A1SMN1; SMN2GAA
SCHEMBL7883156 0.70 PDE9A (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4497867 0.69 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL16712554 0.69 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL403830 0.68 PDE5A (0.67) ALDH1A1SMN1; SMN2RAB9AKMT2AHTT

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 4 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-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
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 ALDH1A1 1007/4885SMN1; SMN2 3668/4885NPC1 4689/4885
US-20200247809-A1 3-AMINO-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK3, CDK4, CDK2 ALDH1A1 1472/4885SMN1; SMN2 4078/4885NPC1 4418/4885

“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.