SCHEMBL22494174

SCHEMBL22494174

COc1cc(P(C)(C)=O)ccc1N(c1ccccc1)c1ncc(Cl)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 7/20 0.44
▸ IGF1R P08069 7/20 0.44
▸ ALK Q9UM73 7/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ DHFR P00374 1/20 0.31

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
SCHEMBL18338693 0.85 INSR (0.37) INSRIGF1RALKTP53MAPT
SCHEMBL19313005 0.79 ALK (0.43) INSRIGF1RALKPDE4DPOLQ
SCHEMBL3960785 0.70 ALK (0.42) INSRIGF1RALK
SCHEMBL22494176 0.63 ALK (0.37) INSRIGF1RALK
SCHEMBL19288564 0.63 INSR (0.36) INSRIGF1RALKPOLQ
SCHEMBL1491757 0.63 ALK (0.83) INSRIGF1RALKMAP4K1
SCHEMBL25033149 0.61 FYN (0.38) INSRIGF1RALKPOLQ
SCHEMBL30870734 0.61 FYN (0.38) INSRIGF1RALKPOLQ
SCHEMBL1491772 0.61 ALDH1A1 (0.53) INSRIGF1RALKMAPTMEN1
SCHEMBL15836868 0.61 TSHR (0.47) MAPTMEN1KMT2A

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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — 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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 INSR 941/4885IGF1R 526/4885ALK 256/4885

“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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