SCHEMBL15219256

SCHEMBL15219256

Cc1cncc(NC2CCNC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ BPTF Q12830 2/20 0.40
▸ BRD4 O60885 4/20 0.40
▸ ATAD2 Q6PL18 4/20 0.40
▸ PRKCI P41743 3/20 0.39
▸ NRAS P01111 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ IRAK1 P51617 1/20 0.38

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
SCHEMBL16303847 0.91 PRKCZ (0.46) IRAK4BPTFBRD4PRKCIFLT3
SCHEMBL13354595 0.84 HRH3 (0.42) CLK2CLK3DYRK1AMAP4K1HRH4
SCHEMBL11916057 0.81 HRH4 (0.45) CLK2CLK3DYRK1AMAP4K1HRH4
SCHEMBL27987404 0.79 AXL (0.43) CLK2CLK3DYRK1AMAP4K1PLK4
SCHEMBL27987403 0.79 AXL (0.43) CLK2CLK3DYRK1AMAP4K1PLK4
SCHEMBL2535679 0.78 HRH4 (0.45) MAP4K1HRH4HRH3HRH2PLK4
SCHEMBL31687302 0.78 IRAK4 (0.51) HRH3IRAK4BRD4ATAD2NRAS
SCHEMBL22895365 0.78 HRH3 (0.47) MAP4K1HRH4HRH3HRH2PLK4
SCHEMBL27987771 0.77 PRKCI (0.47) CLK2CLK3DYRK1AMAP4K1PIM1
Hydrochloric Acid SCHEMBL30457642 0.77 IRAK4 (0.50) HRH3IRAK4BRD4ATAD2NRAS

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 11 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-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 — — US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 — — US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 — — 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-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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 (7 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 CLK2 522/4885CLK3 728/4885DYRK1A 810/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CLK2 516/4885CLK3 793/4885DYRK1A 811/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CLK2 521/4885CLK3 810/4885DYRK1A 778/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 CLK2 368/4885CLK3 626/4885DYRK1A 720/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 CLK2 521/4885CLK3 1316/4885DYRK1A 681/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CLK2 522/4885CLK3 728/4885DYRK1A 810/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CLK2 522/4885CLK3 728/4885DYRK1A 810/4885

“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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