SCHEMBL11916403

SCHEMBL11916403

CP(C)(=O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.63
▸ LRRK2 Q5S007 1/20 0.63
▸ ALK Q9UM73 7/20 0.59
▸ CDK19 Q9BWU1 1/20 0.59
▸ CTSC P53634 3/20 0.58
▸ AURKA O14965 2/20 0.57
▸ INSR P06213 4/20 0.55
▸ IGF1R P08069 4/20 0.55
▸ CDK2 P24941 2/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ BCL6 P41182 1/20 0.51
▸ CCNA2 P20248 1/20 0.50
▸ PTK2 Q05397 3/20 0.49
▸ CCNK O75909 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CDK6 Q00534 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
SCHEMBL11919318 0.86 EGFR (0.61) JAK2AURKAINSRIGF1RCDK2
SCHEMBL29816634 0.85 JAK2 (0.79) JAK2LRRK2ALKCDK19CTSC
SCHEMBL15391316 0.85 JAK2 (0.79) JAK2LRRK2ALKCDK19CTSC
SCHEMBL19203857 0.84 ALK (0.56) ALKAURKAINSRIGF1RCDK2
SCHEMBL1491753 0.82 AURKA (0.46) JAK2LRRK2ALKAURKAINSR
SCHEMBL1491757 0.82 ALK (0.83) ALKAURKAINSRIGF1R
SCHEMBL11916428 0.82 CCNK (0.65) ALKAURKAINSRIGF1RCDK2
SCHEMBL11916655 0.81 GSK3A (0.67) JAK2AURKAINSRIGF1RCDK2
SCHEMBL19203805 0.81 ALK (0.53) ALKAURKAINSRIGF1RCDK2
SCHEMBL11916315 0.81 ALK (0.53) ALKAURKAINSRIGF1RCDK2

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 12 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 — — US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 — — 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-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 — — US disclosed
US-20130225528-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-20130225527-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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 JAK2 329/4885LRRK2 652/4885ALK 256/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 JAK2 305/4885LRRK2 601/4885ALK 265/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 JAK2 406/4885LRRK2 1090/4885ALK 370/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 JAK2 305/4885LRRK2 601/4885ALK 265/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 JAK2 361/4885LRRK2 981/4885ALK 316/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 JAK2 361/4885LRRK2 981/4885ALK 316/4885

“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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