SCHEMBL20959482

SCHEMBL20959482

O=C(O)N1CCN(C2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 5/20 0.52
HRH3 Q9Y5N1 3/20 0.49
KCNH2 Q12809 1/20 0.46
CHRM1 P11229 1/20 0.44
CCR5 P51681 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44
YTHDC1 Q96MU7 1/20 0.43
POLB P06746 1/20 0.43
CXCR4 P61073 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4497249 0.85 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4497247 0.85 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL20959554 0.83 JAK2 (0.53) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL20980264 0.83 JAK2 (0.53) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL20980265 0.83 JAK2 (0.53) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2143902 0.83 KMT2A (0.56) ALDH1A1MEN1KMT2AKDM4ECHRM1
SCHEMBL2143897 0.83 KMT2A (0.56) ALDH1A1MEN1KMT2AKDM4ECHRM1
SCHEMBL2143781 0.82 KMT2A (0.50) ALDH1A1MEN1KMT2AKDM4EACHE
SCHEMBL10320835 0.82 KMT2A (0.50) ALDH1A1MEN1KMT2AKDM4EACHE
SCHEMBL2143779 0.82 KMT2A (0.50) ALDH1A1MEN1KMT2AKDM4EACHE

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
EP-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 EP disclosed
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-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 (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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD ALDH1A1 1403/4885MEN1 1959/4885KMT2A 1422/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD ALDH1A1 1403/4885MEN1 1959/4885KMT2A 1422/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA ALDH1A1 574/4885MEN1 2417/4885KMT2A 1381/4885

“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.