SCHEMBL27270881

SCHEMBL27270881

C=P(C)(C)c1ccccc1Nc1nc(Nc2ccc(N3CCC4(CCN(C)CC4)CC3)cc2OC)ncc1Cl

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.87
▸ EGFR P00533 3/20 0.87
▸ INSR P06213 6/20 0.74
▸ IGF1R P08069 6/20 0.74
▸ CHEK1 O14757 1/20 0.68
▸ AURKA O14965 1/20 0.68
▸ NUAK1 O60285 1/20 0.68
▸ JAK2 O60674 1/20 0.68
▸ STK10 O94804 1/20 0.68
▸ PRKD3 O94806 1/20 0.68
▸ SLC34A2 O95436 1/20 0.68
▸ CHEK2 O96017 1/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ CD74 P04233 1/20 0.68
▸ ERBB2 P04626 1/20 0.68
▸ LCK P06239 1/20 0.68
▸ FYN P06241 1/20 0.68
▸ FES P07332 1/20 0.68
▸ CSF1R P07333 1/20 0.68
▸ YES1 P07947 1/20 0.68

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
Iruplinalkib SCHEMBL30297159 0.93 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
Iruplinalkib SCHEMBL30195062 0.93 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
Iruplinalkib SCHEMBL17411099 0.93 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17410982 0.93 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
SCHEMBL18832000 0.91 ALK (0.88) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17410973 0.88 ALK (0.90) ALKEGFRINSRIGF1RCHEK1
SCHEMBL24885722 0.86 ALK (0.75) ALKEGFRINSRIGF1R
SCHEMBL17410976 0.85 ALK (0.86) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17411098 0.85 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17410900 0.85 ALK (1.00) ALKEGFRINSRIGF1RCHEK1

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-20240216402-A1 PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF QILU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 — — 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-20240216402-A1 PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SLC20A1, SLC34A1, CYP4A11 ALK 1501/4885EGFR 2356/4885INSR 1232/4885

“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.

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