SCHEMBL24960657

SCHEMBL24960657

COc1cc2c(cc1N)CCCN2CCN1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
DRD3 P35462 6/20 0.38
DRD2 P14416 5/20 0.38
DRD4 P21917 5/20 0.38
DRD1 P21728 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
HTR1A P08908 1/20 0.35
DRD5 P21918 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOS3 P29474 1/20 0.35

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
SCHEMBL24960728 0.80 CHRM2 (0.49) HDAC1HDAC6ALDH1A1GAAKMT2A
SCHEMBL24960646 0.77 ALDH1A1 (0.44) DRD2DRD4ALDH1A1KMT2ALMNA
SCHEMBL15037993 0.76 HRH3 (0.43) RENDRD3DRD2DRD4HRH3
Hydrochloric Acid SCHEMBL15016566 0.75 KMT2A (0.44) RENDRD3DRD2HRH3HTR1A
SCHEMBL24960658 0.74 MAP4K1 (0.45)
SCHEMBL21468535 0.74 S100B (0.38) DRD3DRD2DRD4DRD1HDAC1
SCHEMBL27580531 0.74 POLB (0.37) HDAC1HDAC6ALDH1A1GAA
SCHEMBL10092657 0.71 MEN1 (0.47) RENDRD3DRD2DRD4DRD1
SCHEMBL20232219 0.71 MAOB (0.63) DRD3DRD2DRD4DRD1DRD5
SCHEMBL20214396 0.71 MAOB (0.63) DRD3DRD2DRD4DRD1DRD5

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 REN 1339/4885DRD3 4825/4885DRD2 4796/4885

“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.