SCHEMBL24676417

SCHEMBL24676417

C=NCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCN2CCOCC2)c(S(=O)(=O)N(C)C)cc1C3=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.48
GAK O14976 1/20 0.38
ACOX3 O15254 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PHKG2 P15735 1/20 0.38
FER P16591 1/20 0.38
EPHA1 P21709 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
KDR P35968 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
SCHEMBL20004156 0.88 ALK (0.47) ALKGAKACOX3NR1I2ABCB11
SCHEMBL897918 0.86 ALK (0.65) ALKGAKACOX3NR1I2ABCB11
SCHEMBL24676415 0.83 ALK (0.52) ALKCLK1CLK2SRPK2SRPK1
SCHEMBL24676161 0.79 ALK (0.49) ALKEML4
SCHEMBL897848 0.77 ALK (0.71) ALKSRPK2SRPK1EML4
SCHEMBL21443214 0.74 ALK (0.69) ALKKDR
SCHEMBL20366546 0.74 ALK (0.53) ALKGAKACOX3NR1I2ABCB11
SCHEMBL1755768 0.74 ALK (0.40) ALKGAKACOX3NR1I2ABCB11
SCHEMBL20004159 0.73 ALK (0.58) ALKGAKACOX3NR1I2ABCB11
SCHEMBL20366529 0.73 ALK (0.57) ALKGAKACOX3NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 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 (2 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885GAK 1199/4885ACOX3 2972/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALK 1/4885GAK 1199/4885ACOX3 2972/4885

“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.