SCHEMBL20980264

SCHEMBL20980264

CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N(Cc3ccccc3)Cc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
GPR119 Q8TDV5 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
STS P08842 1/20 0.48
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44

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
SCHEMBL20980265 1.00 JAK2 (0.53) JAK2JAK1GPR119MEN1KMT2A
SCHEMBL20959554 1.00 JAK2 (0.53) JAK2JAK1GPR119MEN1KMT2A
SCHEMBL3012474 0.88 JAK2 (0.62) JAK2JAK1GPR119MEN1KMT2A
SCHEMBL4497249 0.86 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL4497247 0.86 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL20959482 0.83 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL24424892 0.83 JAK2 (0.47) JAK2JAK1GPR119MEN1KMT2A
SCHEMBL24424896 0.83 JAK2 (0.47) JAK2JAK1GPR119MEN1KMT2A
SCHEMBL31187296 0.82 JAK2 (0.53) JAK2JAK1GPR119MEN1KMT2A
SCHEMBL31533327 0.82 JAK2 (0.52) JAK2JAK1GPR119MEN1KMT2A

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-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 US 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 (4 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD JAK2 2039/4885JAK1 2242/4885GPR119 3743/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD JAK2 2039/4885JAK1 2242/4885GPR119 3743/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA JAK2 1428/4885JAK1 2245/4885GPR119 3709/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI JAK2 712/4885JAK1 1940/4885GPR119 4067/4885

“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.