SCHEMBL16656851

SCHEMBL16656851

CCc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2[SH](=O)=O)n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 15/20 0.60
▸ IGF1R P08069 15/20 0.60
▸ ALK Q9UM73 15/20 0.60
▸ MAP4K1 Q92918 3/20 0.51
▸ EGFR P00533 1/20 0.47
▸ ULK1 O75385 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ EML4 Q9HC35 1/20 0.43

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
SCHEMBL15217781 0.89 ALK (0.62) INSRIGF1RALKEGFRULK1
SCHEMBL15217784 0.86 ALK (0.82) INSRIGF1RALKMAP4K1EGFR
SCHEMBL19203857 0.84 ALK (0.56) INSRIGF1RALKAURKA
SCHEMBL3890386 0.82 ALK (0.77) INSRIGF1RALK
SCHEMBL22515632 0.76 ALK (0.81) INSRIGF1RALKMAP4K1EGFR
SCHEMBL11916548 0.75 ALK (1.00) INSRIGF1RALKMAP4K1EGFR
SCHEMBL11916314 0.75 ALK (0.78) INSRIGF1RALKMAP4K1EGFR
SCHEMBL19203872 0.74 LRRK2 (0.69) INSRIGF1RALKEGFRAURKA
SCHEMBL11916421 0.73 ALK (0.84) INSRIGF1RALKMAP4K1EGFR
SCHEMBL11916497 0.73 ALK (0.90) INSRIGF1RALKEGFRAURKA

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-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 INSR 751/4885IGF1R 477/4885ALK 370/4885

“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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