SCHEMBL24828388

SCHEMBL24828388

CCn1cc(Cn2nc(Br)cc2-c2ccc(F)cc2[C@@H](C)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
KCNH2 Q12809 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
SCHEMBL24828669 0.89 HDAC6 (0.39) NTRK1MEN1KMT2APOLBMAPT
SCHEMBL24828438 0.89 NTRK1 (0.35) NTRK1MEN1KMT2APOLBMAPT
SCHEMBL24828549 0.87 NTRK1 (0.35) NTRK1MEN1KMT2APOLBMAPT
SCHEMBL24828397 0.80 HDAC3 (0.36) NTRK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24828651 0.80 KCNH2 (0.31) NTRK1MAPTHDAC3HDAC4HDAC1
SCHEMBL24828313 0.77 TLR7 (0.32) MEN1KMT2A
SCHEMBL25624075 0.74 NTRK1 (0.35) NTRK1MEN1KMT2APOLBMAPT
SCHEMBL24828655 0.73 NTRK1 (0.41) NTRK1MEN1KMT2APOLBMAPT
SCHEMBL25123543 0.73 NTRK1 (0.39) NTRK1MEN1KMT2APOLBMAPT
SCHEMBL25123571 0.73 NTRK1 (0.39) NTRK1MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 NTRK1 4065/4885MEN1 1170/4885KMT2A 2154/4885
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS NTRK1 3897/4885MEN1 1607/4885KMT2A 2069/4885

“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.