SCHEMBL21133482

SCHEMBL21133482

COc1cc(N2CCC(N3CCN(CCN)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.84
INSR P06213 19/20 0.84
IGF1R P08069 19/20 0.84
AURKA O14965 2/20 0.84
ROS1 P08922 2/20 0.84
EML4 Q9HC35 2/20 0.84
CHEK1 O14757 1/20 0.84
NUAK1 O60285 1/20 0.84
JAK2 O60674 1/20 0.84
STK10 O94804 1/20 0.84
PRKD3 O94806 1/20 0.84
SLC34A2 O95436 1/20 0.84
CHEK2 O96017 1/20 0.84
ABL1 P00519 1/20 0.84
EGFR P00533 1/20 0.84
CD74 P04233 1/20 0.84
ERBB2 P04626 1/20 0.84
LCK P06239 1/20 0.84
FYN P06241 1/20 0.84
FES P07332 1/20 0.84

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
SCHEMBL30761549 1.00 ALK (0.84) ALKINSRIGF1RAURKAROS1
Hydrochloric Acid SCHEMBL30761538 0.99 ALK (0.83) ALKINSRIGF1RAURKAROS1
SCHEMBL11916453 0.92 INSR (0.85) ALKINSRIGF1RAURKAROS1
SCHEMBL11916541 0.92 ALK (0.93) ALKINSRIGF1RAURKAROS1
Brigatinib SCHEMBL11916361 0.91 ALK (1.00) ALKINSRIGF1RAURKAROS1
Brigatinib SCHEMBL29432539 0.91 ALK (1.00) ALKINSRIGF1RAURKAROS1
Brigatinib SCHEMBL29350096 0.91 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL23065817 0.91 ALK (0.81) ALKINSRIGF1RAURKAROS1
SCHEMBL15217783 0.91 INSR (0.84) ALKINSRIGF1RAURKAROS1
SCHEMBL11916444 0.90 ALK (1.00) ALKINSRIGF1RAURKAROS1

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-11771709-B2 ALK protein degradation agent and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2023-10-03 US disclosed
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2023-10-03 US disclosed
CN-109912655-B ALK protein degradation agent and anti-tumor application thereof 上海科技大学 2021-12-10 CN disclosed
EP-3725771-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF Shanghaitech University (CN) 2020-10-21 EP disclosed
US-20200306273-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2020-10-01 US disclosed
WO-2019114770-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2019-06-20 WO 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-20200306273-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF ADRM1, VHL, MDM2 ALK 5/4885INSR 1929/4885IGF1R 306/4885
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof ADRM1, VHL, MDM2 ALK 5/4885INSR 1929/4885IGF1R 306/4885

“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.