SCHEMBL24960728

SCHEMBL24960728

COc1cc2c(cc1N)CCCN2CC(=O)N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.49
CHRM3 P20309 6/20 0.49
CHRM4 P08173 5/20 0.49
CHRM1 P11229 4/20 0.49
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 3/20 0.39
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL24960657 0.80 REN (0.39) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL24960646 0.80 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL2060918 0.79 L3MBTL1 (0.45) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2061703 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL2205214 0.70 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6287541 0.70 PDE4A (0.40) HDAC1HDAC6
SCHEMBL24960644 0.70 MEN1 (0.50) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL16834135 0.70 IRAK4 (0.57)
SCHEMBL21468535 0.69 S100B (0.38) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL27580531 0.69 POLB (0.37) ALDH1A1HDAC1HDAC6GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026840-A1 COMPOUND USED AS EGFR KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-01-26 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 (1 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-20230026840-A1 COMPOUND USED AS EGFR KINASE INHIBITOR AND USE THEREOF EGFR, ERBB2, ERBB4 CHRM2 4639/4885CHRM3 4169/4885CHRM4 4511/4885

“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.