SCHEMBL27067136

SCHEMBL27067136

Cc1cc(CN)c(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
LMNA P02545 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL16454404 0.81 UHRF1 (0.40) UHRF1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL23500825 0.79 UHRF1 (0.39) UHRF1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL11616480 0.78 UHRF1 (0.46) UHRF1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL19794971 0.78 HTT (0.32) HTTKMT2A
SCHEMBL29411258 0.78 HTT (0.32) HTTKMT2A
Hydrochloric Acid SCHEMBL2750563 0.77 UHRF1 (0.45) UHRF1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL27067135 0.76 SLC6A2 (0.45) UHRF1CYP1A2SLC6A2SLC6A4KDM4E
SCHEMBL21222762 0.76 LMNA (0.41) UHRF1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL14917587 0.75 NOS3 (0.47) UHRF1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL317221 0.74 UHRF1 (0.52) UHRF1CYP1A2CYP2A6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 UHRF1 2226/4885CYP1A2 3908/4885CYP2A6 4016/4885

“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.