SCHEMBL11916638

SCHEMBL11916638

Cc1cc(-c2nnn[nH]2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.57
▸ ALK Q9UM73 7/20 0.56
▸ INSR P06213 6/20 0.56
▸ IGF1R P08069 6/20 0.56
▸ MAP4K1 Q92918 7/20 0.52
▸ EGFR P00533 1/20 0.51
▸ CDK7 P50613 1/20 0.49
▸ CDK9 P50750 1/20 0.49

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
SCHEMBL11919123 0.89 ALK (0.70) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL11916623 0.82 ALK (0.66) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL26717249 0.80 INSR (0.72) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL31229842 0.76 ALK (0.62) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL15442488 0.76 EGFR (0.82) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL14225902 0.75 ALK (0.61) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL28996875 0.74 MAP4K1 (0.58) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL16803662 0.74 EGFR (0.59) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL19669895 0.74 CDK7 (0.66) PTK2ALKINSRIGF1RMAP4K1
SCHEMBL15492031 0.74 AURKA (0.67) ALKIGF1RCDK9

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 8 patents. 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
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 — — 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-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — 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 (6 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 PTK2 141/4885ALK 316/4885INSR 767/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 PTK2 87/4885ALK 256/4885INSR 941/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 PTK2 75/4885ALK 265/4885INSR 985/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 PTK2 134/4885ALK 370/4885INSR 751/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 PTK2 141/4885ALK 316/4885INSR 767/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 PTK2 141/4885ALK 316/4885INSR 767/4885

“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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