SCHEMBL20180575

SCHEMBL20180575

CC(=O)N1Cc2cc(N)ccc2C2(CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
HSD17B3 P37058 1/20 0.43
NOTUM Q6P988 5/20 0.40
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
WEE1 P30291 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
NAMPT P43490 1/20 0.36
HDAC8 Q9BY41 2/20 0.34
FSHR P23945 1/20 0.34
CRBN Q96SW2 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 1/20 0.33
IKBKE Q14164 1/20 0.33
MAPK14 Q16539 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33

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
SCHEMBL12005789 0.87 NR1H2 (0.42) NR1H2HSD17B3NOTUMNAMPTHDAC8
SCHEMBL450030 0.84 HSD17B3 (0.44) NR1H2HSD17B3NOTUMCASP6GFER
SCHEMBL20909779 0.84 NOTUM (0.43) HSD17B3NOTUMWEE1BAZ2BNAMPT
SCHEMBL21349709 0.82 ESR1 (0.45) NR1H2HSD17B3NAMPTHDAC8
SCHEMBL12006705 0.82 NR1H2 (0.66) NR1H2NAMPTHDAC8CRBN
SCHEMBL29554271 0.82 NR1H2 (0.66) NR1H2NAMPTHDAC8CRBN
SCHEMBL20883595 0.81 HSP90AA1 (0.41) NOTUMWEE1
SCHEMBL20883922 0.81 NOTUM (0.38) NOTUMWEE1CRBNHSD11B1
SCHEMBL22765655 0.79 NOTUM (0.58) NOTUMHSD11B1
SCHEMBL20704237 0.79 DPP7 (0.45) BAZ2BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 EP disclosed
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2021-10-14 US disclosed
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs RECURIUM IP HOLDINGS, LLC (US) 2021-09-21 US disclosed
EP-3661918-A1 1, 2 - DIHYDRO- 3H- PYRAZOLO [3, 4 - D]PYRIMIDIN -3 - ONE ANALOGS Recurium IP Holdings, LLC (US) 2020-06-10 EP disclosed
US-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2020-05-21 US disclosed
WO-2019028008-A1 1, 2 - DIHYDRO- 3H- PYRAZOLO [3, 4 - D] PYRIMIDIN -3 - ONE ANALOGS Zeno Royalties & Milestones, LLC (US) 2019-02-07 WO disclosed
WO-2018090939-A1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND 上海瑛派药业有限公司 2018-05-24 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 (3 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-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 NR1H2 1001/4885HSD17B3 312/4885NOTUM 4713/4885
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 NR1H2 1001/4885HSD17B3 312/4885NOTUM 4713/4885
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs MKI67, BRCA1, CCND1 NR1H2 688/4885HSD17B3 393/4885NOTUM 4734/4885

“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.