SCHEMBL24828665

SCHEMBL24828665

O=Cc1cnn(C2CCC2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PDE9A O76083 3/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 2/20 0.32
OPRK1 P41145 1/20 0.32
PDE1C Q14123 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
POLB P06746 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
SCHEMBL24828280 0.95 ALDH1A1 (0.36) CSNK2BALDH1A1LMNADRD2DRD4
SCHEMBL21410991 0.83 L3MBTL3 (0.33) ALDH1A1OPRK1
SCHEMBL4032978 0.76 ALDH1A1 (0.51) CSNK2BALDH1A1PDE9ACNR2LMNA
SCHEMBL14824946 0.76 ALDH1A1 (0.41) CSNK2BALDH1A1PDE9ACNR2LMNA
SCHEMBL21410697 0.76 GPR119 (0.48) ALDH1A1
SCHEMBL25623657 0.74 ALOX15 (0.31) PDE9ACNR2PDE1C
SCHEMBL24828259 0.74 ALOX15 (0.45) ALDH1A1PDE9ACNR2PDE1CDRD2
SCHEMBL24828176 0.73 OPRK1 (0.37) PDE9ACNR2OPRK1PDE1CDRD4
SCHEMBL4033435 0.73 ALDH1A1 (0.47) CSNK2BALDH1A1PDE9ACNR2LMNA
SCHEMBL25623816 0.73 PDE9A (0.33) PDE9ACNR2PDE1C

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 6 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
CN-115916754-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN 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 CSNK2B 2168/4885ALDH1A1 2062/4885PDE9A 4466/4885
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 CSNK2B 1925/4885ALDH1A1 874/4885PDE9A 4575/4885
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 CSNK2B 1925/4885ALDH1A1 874/4885PDE9A 4575/4885
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS CSNK2B 2168/4885ALDH1A1 2062/4885PDE9A 4466/4885

“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.