SCHEMBL24828355

SCHEMBL24828355

CCn1cc(Cn2nc(C(F)(F)F)cc2Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
KCNH2 Q12809 3/20 0.32
LMNA P02545 1/20 0.32
PIK3CA P42336 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL24828461 0.82 MAPT (0.34) KCNH2LMNAMAPTKMT2AMEN1
SCHEMBL24828555 0.77 GAA (0.36) KCNH2MAPTKMT2AMEN1GAA
SCHEMBL16486020 0.76 LMNA (0.40) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL31159663 0.74 LMNA (0.36) HDAC6KCNH2LMNAPIK3CAMAPT
Hydrochloric Acid SCHEMBL21492885 0.72 MPO (0.38) KCNH2LMNAMAPT
SCHEMBL24828549 0.71 NTRK1 (0.35) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL24828484 0.69 KCNH2 (0.34) KCNH2LMNAGAAPOLB
SCHEMBL21768434 0.67 LMNA (0.35) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL24828668 0.67 CSF1R (0.35) KCNH2LMNAMAPTKMT2AMEN1
SCHEMBL14394660 0.64 PIM1 (0.40) KCNH2PIK3CAMAPTKMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2024-10-24 US disclosed
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2024-08-06 US disclosed
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2023-04-06 US disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 US disclosed
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 (4 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-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS HDAC6 221/4885HDAC3 129/4885HDAC4 836/4885
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 HDAC6 317/4885HDAC3 253/4885HDAC4 1166/4885
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 HDAC6 317/4885HDAC3 253/4885HDAC4 1166/4885
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS HDAC6 221/4885HDAC3 129/4885HDAC4 836/4885

“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.