SCHEMBL11916604

SCHEMBL11916604

Cc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 4/20 0.66
▸ CCND3 P30281 4/20 0.66
▸ CDK9 P50750 4/20 0.66
▸ CDK6 Q00534 4/20 0.66
▸ CCNA2 P20248 4/20 0.66
▸ CDK2 P24941 4/20 0.66
▸ INSR P06213 3/20 0.58
▸ ALK Q9UM73 3/20 0.58
▸ IGF1R P08069 2/20 0.58
▸ PKMYT1 Q99640 2/20 0.57
▸ BRD4 O60885 2/20 0.57
▸ PTK2 Q05397 1/20 0.56
▸ PTK2B Q14289 1/20 0.56
▸ SLC2A1 P11166 1/20 0.56
▸ EGFR P00533 2/20 0.55
▸ LRRK2 Q5S007 2/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ AXL P30530 1/20 0.52

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
SCHEMBL11916428 0.89 CCNK (0.65) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL11919190 0.88 ALK (0.73) CDK2INSRALKIGF1RPTK2
SCHEMBL11915885 0.86 PKMYT1 (0.74) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL22515459 0.85 INSR (0.60) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL11919317 0.83 PDGFRB (0.63) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL11916449 0.82 ALK (0.84) CDK2INSRALKIGF1RPTK2
SCHEMBL11916570 0.81 ALK (0.65) INSRALKIGF1RPTK2PTK2B
SCHEMBL30394638 0.79 CCNA2 (1.00) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL11916445 0.77 ALK (0.72) CDK2INSRALKIGF1RPTK2
SCHEMBL11916385 0.76 FGFR1 (0.63) ALKIGF1RBRD4EGFRULK1

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-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130225527-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 CCNK 402/4885CCND3 949/4885CDK9 129/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CCNK 393/4885CCND3 1243/4885CDK9 60/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CCNK 376/4885CCND3 1140/4885CDK9 59/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 CCNK 404/4885CCND3 1091/4885CDK9 149/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CCNK 402/4885CCND3 949/4885CDK9 129/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CCNK 402/4885CCND3 949/4885CDK9 129/4885

“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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