SCHEMBL19203854

SCHEMBL19203854

COc1cc(P(C)(C)=O)ccc1Nc1nnc(Cl)c(Nc2ccccc2SC(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.58
▸ INSR P06213 15/20 0.58
▸ IGF1R P08069 15/20 0.58
▸ PTK2 Q05397 3/20 0.48
▸ AURKA O14965 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ EML4 Q9HC35 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL11916677 0.87 ALK (0.78) ALKINSRIGF1RAURKAROS1
SCHEMBL19288681 0.86 ALK (0.60) ALKINSRIGF1RPTK2AURKA
SCHEMBL11902141 0.83 ALK (0.77) ALKINSRIGF1RPTK2AURKA
SCHEMBL11900186 0.83 INSR (0.60) ALKINSRIGF1RPTK2
SCHEMBL11900560 0.76 ALK (0.67) ALKINSRIGF1R
SCHEMBL15207208 0.76 ALK (0.68) ALKINSRIGF1RROS1EGFR
SCHEMBL15206624 0.74 ALK (0.52) ALKINSRIGF1RPTK2EGFR
SCHEMBL11900888 0.74 ALK (0.64) ALKINSRIGF1RROS1EGFR
SCHEMBL11900456 0.74 ALK (0.63) ALKINSRIGF1RROS1EGFR
SCHEMBL11916592 0.73 ALK (0.87) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885INSR 941/4885IGF1R 526/4885

“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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