SCHEMBL30917876

SCHEMBL30917876

O=C1CC[C@@H](C(F)(F)F)c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM1A O60341 4/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
S100A4 P26447 1/20 0.35
PBRM1 Q86U86 1/20 0.35
PARP10 Q53GL7 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 1/20 0.34
SRD5A1 P18405 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
AR P10275 1/20 0.32
KDM1B Q8NB78 1/20 0.32
PTPRC P08575 1/20 0.32
ESR1 P03372 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
SCHEMBL30917758 1.00 CYP1A2 (0.41) CYP1A2MAPK1KDM1AEDNRBEDNRA
SCHEMBL30917500 1.00 CYP1A2 (0.41) CYP1A2MAPK1KDM1AEDNRBEDNRA
SCHEMBL31650198 0.88 CYP1A2 (0.39) CYP1A2MAPK1KDM1AEDNRBEDNRA
SCHEMBL31385099 0.81 CASP1 (0.41) MAPK1S100A4TDP1DDB1CRBN
SCHEMBL30917697 0.76 PBRM1 (0.44) CYP1A2MAPK1EDNRBEDNRAS100A4
SCHEMBL31650648 0.76 PBRM1 (0.44) CYP1A2MAPK1EDNRBEDNRAS100A4
SCHEMBL30917701 0.76 PBRM1 (0.44) CYP1A2MAPK1EDNRBEDNRAS100A4
SCHEMBL8617679 0.76 PBRM1 (0.44) CYP1A2MAPK1EDNRBEDNRAS100A4
SCHEMBL29741302 0.74 KDM4E (0.45) CYP1A2MAPK1EDNRBEDNRAESR1
SCHEMBL31650145 0.73 PBRM1 (0.39) CYP1A2MAPK1EDNRBEDNRAS100A4

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-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS TREELINE BIOSCIENCES INC (US) 2026-01-22 US disclosed
EP-4622716-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-10-01 EP disclosed
WO-2025038936-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-02-20 WO disclosed
WO-2024112654-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-05-30 WO 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-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS KRAS, NRAS, G3BP2 CYP1A2 2265/4885MAPK1 341/4885KDM1A 4841/4885

“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.