SCHEMBL15217781

SCHEMBL15217781

Cc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2[SH](=O)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.62
▸ INSR P06213 9/20 0.62
▸ IGF1R P08069 9/20 0.62
▸ PTK2 Q05397 2/20 0.51
▸ MAPK3 P27361 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.49
▸ EGFR P00533 1/20 0.48
▸ CCNA2 P20248 4/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ CCNK O75909 3/20 0.47
▸ CDK9 P50750 3/20 0.47
▸ CCND3 P30281 2/20 0.47
▸ CDK6 Q00534 2/20 0.47
▸ ULK1 O75385 1/20 0.45

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
SCHEMBL16656851 0.89 INSR (0.60) ALKINSRIGF1REGFRULK1
SCHEMBL15217784 0.88 ALK (0.82) ALKINSRIGF1REGFR
SCHEMBL19203857 0.86 ALK (0.56) ALKINSRIGF1RPTK2CCNA2
SCHEMBL16995965 0.84 ALK (0.87) ALKINSRIGF1RLRRK2EGFR
SCHEMBL11901180 0.81 ALK (0.79) ALKINSRIGF1RPTK2EGFR
SCHEMBL15222049 0.80 ALK (0.64) ALKINSRIGF1RPTK2
SCHEMBL15222050 0.78 ALK (0.61) ALKINSRIGF1RPTK2LRRK2
SCHEMBL11916492 0.78 ALK (0.54) ALKINSRIGF1RPTK2MAPK3
SCHEMBL11916623 0.78 ALK (0.66) ALKINSRIGF1RPTK2EGFR
SCHEMBL16995962 0.77 ALK (0.58) ALKINSRIGF1RPTK2MAPK3

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-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 — — US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 — — US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — 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 (4 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALK 316/4885INSR 767/4885IGF1R 543/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALK 370/4885INSR 751/4885IGF1R 477/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ALK 265/4885INSR 985/4885IGF1R 586/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALK 316/4885INSR 767/4885IGF1R 543/4885

“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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