SCHEMBL23922826

SCHEMBL23922826

C=CCc1c(I)ccnc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ALDH1A1 P00352 7/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL31437498 0.77 AURKA (0.33) SMN1; SMN2HPGDAURKATTKAURKB
SCHEMBL4402294 0.77 AURKA (0.33) SMN1; SMN2HPGDAURKATTKAURKB
SCHEMBL4405916 0.77 AURKA (0.33) SMN1; SMN2HPGDAURKATTKAURKB
SCHEMBL6760404 0.75 AURKA (0.30) AURKATTKAURKBINCENP
SCHEMBL6789137 0.74 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL23923008 0.72 GAA (0.43) ALDH1A1SMN1; SMN2TSHRPOLBPTGS1
SCHEMBL6435977 0.72
SCHEMBL6435979 0.72
SCHEMBL30123451 0.71 CYP4F2 (0.36) ALDH1A1SMN1; SMN2TSHRKDM4EHPGD
SCHEMBL635872 0.69 ALDH1A1 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B

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-12071434-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-27 US disclosed
EP-3895707-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-10-04 EP disclosed
US-20230042358-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-09 US disclosed
EP-3895707-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 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 (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-20230042358-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 CCNB2 1963/4885CDK1 1636/4885CCNB1 2717/4885
US-12071434-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 CCNB2 1963/4885CDK1 1636/4885CCNB1 2717/4885

“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.