SCHEMBL3952207

SCHEMBL3952207

CC(C(N)=O)C1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
CYP2D6 P10635 1/20 0.48
CPN1 P15169 2/20 0.47
CPB2 Q96IY4 2/20 0.47
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
APLNR P35414 2/20 0.40
NOS2 P35228 1/20 0.40
EPHX1 P07099 2/20 0.39
IRAK4 Q9NWZ3 5/20 0.34
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL29496835 0.89 KDM4E (0.38) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL17560474 0.87 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL30948839 0.87 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL25662164 0.83 CPN1 (0.57) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL25662157 0.83 CPN1 (0.57) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4189286 0.83 CPN1 (0.57) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL7494708 0.81 CPN1 (0.47) KDM4EMAPTKMT2AATMCYP2D6
Zinc Ion SCHEMBL9276168 0.80 CPN1 (0.46) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL21905026 0.80
SCHEMBL1037019 0.79 CPN1 (0.45) KDM4EMAPTKMT2AATMCYP2D6

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
US-20230167450-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-06-01 US disclosed
CN-105764502-A Combination methods for improving the therapeutic benefit of bisantrene and analogs and derivatives thereof 现代化制药公司 2016-07-13 CN disclosed
CN-105764501-A Compositions for improving the therapeutic benefit of bisantrene 现代化制药公司 2016-07-13 CN disclosed
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 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 (1 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-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 KDM4E 1999/4885MAPT 536/4885KMT2A 1818/4885

“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.