SCHEMBL25623865

SCHEMBL25623865

CCn1ncc(C(C)=O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
MITF O75030 1/20 0.40
S1PR4 O95977 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL15273679 0.80 LMNA (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL334488 0.79 LMNA (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL18412868 0.78 LMNA (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL25109540 0.75 RAB9A (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL24526739 0.74 HPGD (0.39) SMN1; SMN2ALDH1A1RAB9ANPC1MITF
SCHEMBL30133841 0.74 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1RAB9AMAPTMEN1
SCHEMBL26907159 0.72
SCHEMBL15273680 0.72 HPGD (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1MITF
SCHEMBL24828460 0.71 HPGD (0.39) SMN1; SMN2ALDH1A1RAB9ANPC1MITF
SCHEMBL16110978 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-12-18 US disclosed
US-12275742-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2025-04-15 US disclosed
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 US disclosed
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 US disclosed
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 US disclosed
CN-115916196-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN disclosed
EP-4146205-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS Nuvalent, Inc. (US) 2023-03-15 EP disclosed
US-20230076627-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2023-03-09 US disclosed
US-20220340586-A9 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2022-10-27 US disclosed
US-20220098212-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2022-03-31 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 (6 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-20220098212-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS SMN1; SMN2 2081/4885ALDH1A1 1361/4885RAB9A 3265/4885
US-12275742-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, PAICS SMN1; SMN2 2233/4885ALDH1A1 1313/4885RAB9A 3355/4885
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, PAICS SMN1; SMN2 2233/4885ALDH1A1 1313/4885RAB9A 3355/4885
US-20230076627-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS CYP2C8, ABCB1, PAICS SMN1; SMN2 2233/4885ALDH1A1 1313/4885RAB9A 3355/4885
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS CYP2C8, ABCB1, PAICS SMN1; SMN2 2233/4885ALDH1A1 1313/4885RAB9A 3355/4885
US-20220340586-A9 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS SMN1; SMN2 2081/4885ALDH1A1 1361/4885RAB9A 3265/4885

“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.