SCHEMBL24828484

SCHEMBL24828484

Cc1cc(Br)n(Cc2cnn(CCF)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
GRIN2B Q13224 1/20 0.32
GLS O94925 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
SCHEMBL30190272 0.73 KCNH2 (0.36) KCNH2LMNAGRIN2B
SCHEMBL24828461 0.71 MAPT (0.34) KCNH2LMNAGAAPOLB
SCHEMBL24828397 0.71 HDAC3 (0.36) KCNH2KLKB1KLK1GAA
SCHEMBL24828355 0.69 HDAC6 (0.34) KCNH2LMNAGAAPOLB
SCHEMBL19889721 0.69 L3MBTL1 (0.37) KCNH2
SCHEMBL17673290 0.68 PTGS2 (0.48) LMNAGAAPOLB
SCHEMBL24828555 0.68 GAA (0.36) KCNH2GAAPOLB
SCHEMBL24828445 0.67 L3MBTL1 (0.38)
SCHEMBL24828446 0.66 MAPT (0.34) KCNH2LMNA
SCHEMBL17002589 0.65 PDK2 (0.35) KCNH2

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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 KCNH2 3333/4885KLKB1 4706/4885KLK1 4581/4885

“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.