SCHEMBL4078203

SCHEMBL4078203

CN1CCC(CN)(CO)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
NCF1 P14598 1/20 0.33
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7950188 0.85 NCF1 (0.39) GAARAD52KMT2ANCF1CYP1A2
SCHEMBL19783894 0.85 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL2012671 0.79 VNN1 (0.33) KDM4EALDH1A1
SCHEMBL17734308 0.77 KDM4E (0.32) GAAKDM4EALDH1A1
SCHEMBL12535978 0.77 KDM4E (0.38) KMT2AKDM4EALDH1A1
SCHEMBL290856 0.77
SCHEMBL24091187 0.77 GRIN2D (0.39) PTPN11
SCHEMBL9851667 0.76 DRD4 (0.33) KDM4EALDH1A1
SCHEMBL19321830 0.76 KDM4E (0.37) GAAKMT2AKDM4EALDH1A1
SCHEMBL23508955 0.76 PTPN11 (0.35) GAARAD52KMT2ANCF1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS EMD SERONO RESEARCH AND DEVELOPMENT, INC. 2020-10-08 US disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed
CN-1863784-B 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO 2010-11-17 CN disclosed
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP 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-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 GAA 1852/4885RAD52 3169/4885KMT2A 926/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 GAA 4311/4885RAD52 3868/4885KMT2A 3233/4885
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A GAA 3292/4885RAD52 4530/4885KMT2A 500/4885
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 GAA 1852/4885RAD52 3169/4885KMT2A 926/4885

“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.