SCHEMBL1839780

SCHEMBL1839780

CN(C)c1ncnc2[nH]nc(-c3ccc(O)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
MAP2K4 P45985 2/20 0.43
MAPKAPK2 P49137 2/20 0.43
MAPK6 Q16659 2/20 0.43
LRRK2 Q5S007 5/20 0.42
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
EGFR P00533 3/20 0.39
CSF1R P07333 3/20 0.39
PDPK1 O15530 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
MAPKAPK3 Q16644 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
FGFR3 P22607 1/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37

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
SCHEMBL11325 0.79 PIK3CG (0.49) MAPK1MAP2K4MAPKAPK2MAPK6FGFR1
SCHEMBL1841531 0.77 LRRK2 (0.43) LRRK2PDPK1CHEK1AURKASTK4
SCHEMBL20793716 0.72 ADK (0.51) KDRMAP2K7
SCHEMBL13717565 0.72 LRRK2 (0.40) LRRK2CSF1RPIK3CGPIK3CD
SCHEMBL12808147 0.72 BTK (0.50) MAPK1MAP2K4MAPKAPK2MAPK6FGFR1
SCHEMBL2243957 0.70 CHEK1 (0.46) LRRK2CSF1RPDPK1HSP90AB1CHEK1
SCHEMBL13717667 0.70 CHEK1 (0.46) MAPK1LRRK2CSF1RPDPK1HSP90AB1
SCHEMBL30387175 0.69 PIK3CD (0.55) FGFR1FGFR2EGFRJAK2JAK3
SCHEMBL4930122 0.68 YTHDC1 (0.43) MAP2K4JAK2JAK3PIK3CGPIK3CD
SCHEMBL3782102 0.67 PIK3CD (0.57) MAPK1FGFR1EGFRCSF1RFGFR3

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
JP-2011526931-A 2011-10-20 JP claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US claimed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN claimed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP claimed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO 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 (1 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 MAPK1 195/4885MAP2K4 377/4885MAPKAPK2 513/4885

“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.