SCHEMBL21784415

SCHEMBL21784415

C/C=C\C=C1C(=C\C)/Cc2ccccc2/1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ACHE P22303 2/20 0.37
MAOA P21397 3/20 0.37
MIF P14174 3/20 0.37
MAOB P27338 2/20 0.37
CHRM1 P11229 4/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 2/20 0.33
TNF P01375 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL19067400 0.83 KDM4E (0.44) MEN1KMT2AKDM4EACHEMAOA
SCHEMBL20153618 0.83 MEN1 (0.39) MEN1KMT2AKDM4EACHEMAOA
SCHEMBL20272361 0.81 CHRM1 (0.37) MEN1KMT2AKDM4EACHEMAOA
SCHEMBL14922889 0.79 CHRM1 (0.35) MEN1KMT2AKDM4EACHEMAOA
SCHEMBL22421787 0.79 KDM4E (0.41) MEN1KMT2AKDM4EACHEMAOA
SCHEMBL16281504 0.76 ACHE (0.40) MEN1KMT2AKDM4EACHEMAOA
SCHEMBL27855844 0.73 MAOA (0.56) MEN1KMT2AKDM4EMAOAMIF
SCHEMBL19293332 0.72 KDM4E (0.39) MEN1KMT2AKDM4EACHEMAOA
SCHEMBL20687370 0.72 MAPT (0.40) MEN1KMT2AKDM4EMAOAMIF
SCHEMBL25703544 0.71 KDM4E (0.66) MEN1KMT2AKDM4EACHEMAOA

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-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11597721-B2 Heterocyclic compounds comprising pyridine useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2023-03-07 US disclosed
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200321525-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-10-08 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 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 (5 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 MEN1 3673/4885KMT2A 1342/4885KDM4E 2185/4885
US-20200321525-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME OR10J3, OR51E2, ORC3 MEN1 2380/4885KMT2A 1074/4885KDM4E 1082/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 MEN1 3767/4885KMT2A 1460/4885KDM4E 1208/4885
US-11597721-B2 Heterocyclic compounds comprising pyridine useful as modulators of IL-12, IL-23 and/or IFNα responses TYK2, IL23R, JAK3 MEN1 3337/4885KMT2A 2007/4885KDM4E 1977/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 MEN1 3673/4885KMT2A 1342/4885KDM4E 2185/4885

“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.