SCHEMBL29911632

SCHEMBL29911632

Cc1cc(Br)c(C(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
AAK1 Q2M2I8 3/20 0.32
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL22445234 0.85 UHRF1 (0.39) UHRF1CYP1A2CYP2A6AAK1KDM4E
SCHEMBL25927942 0.80 UHRF1 (0.41) UHRF1CYP1A2CYP2A6
SCHEMBL18018351 0.77 UHRF1 (0.48) UHRF1CYP1A2CYP2A6AAK1KDM4E
SCHEMBL29522839 0.75 UHRF1 (0.32) UHRF1AAK1
SCHEMBL22775946 0.75 UHRF1 (0.32) UHRF1AAK1
SCHEMBL15333385 0.74 AAK1 (0.32) AAK1
SCHEMBL17979255 0.74 UHRF1 (0.35) UHRF1CYP1A2CYP2A6AAK1KDM4E
SCHEMBL12440993 0.74
SCHEMBL29826852 0.73
SCHEMBL17275770 0.73

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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 UHRF1 92/4885CYP1A2 4786/4885CYP2A6 4544/4885

“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.