SCHEMBL17032284

SCHEMBL17032284

COCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CN=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL17028503 0.85 — —
SCHEMBL18309954 0.84 HPGD (0.41) HPGDKEAP1NFE2L2RECQLEPHX1
SCHEMBL2351668 0.84 NR1H2 (0.45) HPGDRECQLEPHX1GPR119ALDH1A1
SCHEMBL2354787 0.84 NR1H2 (0.45) HPGDRECQLEPHX1GPR119ALDH1A1
SCHEMBL2351674 0.84 NR1H2 (0.45) HPGDRECQLEPHX1GPR119ALDH1A1
SCHEMBL15958500 0.83 MAPT (0.40) HPGDKEAP1NFE2L2RECQLEPHX1
SCHEMBL30101870 0.83 MAPT (0.40) HPGDKEAP1NFE2L2RECQLEPHX1
SCHEMBL18314503 0.83 HPGD (0.43) HPGDRECQLEPHX1GPR119ALDH1A1
SCHEMBL17032300 0.83 HPGD (0.43) HPGDRECQLEPHX1GPR119ALDH1A1
SCHEMBL17864375 0.81 HPGD (0.41) HPGDKEAP1NFE2L2RECQLEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566029-B2 Pyrazolo[1,5-a]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use IP2IPO INNOVATIONS LIMITED (GB) 2023-01-31 — — US disclosed
US-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE IP2IPO INNOVATIONS LIMITED (GB) 2016-12-15 — — US disclosed
WO-2015124941-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-27 — — 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-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK10, CDK1, CDK20 HPGD 2092/4885KEAP1 1347/4885NFE2L2 907/4885
US-11566029-B2 Pyrazolo[1,5-a]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use CDK10, CDK1, CDK20 HPGD 2147/4885KEAP1 1071/4885NFE2L2 648/4885

“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.

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