SCHEMBL2237756

SCHEMBL2237756

Oc1ncnc2[nH]nc(-c3ccc4cn[nH]c4c3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.50
FGFR2 P21802 3/20 0.50
FGFR3 P22607 1/20 0.50
ABL1 P00519 4/20 0.47
SRC P12931 3/20 0.47
KDR P35968 3/20 0.47
PIK3CD O00329 2/20 0.47
EGFR P00533 2/20 0.47
HCK P08631 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CG P48736 2/20 0.47
EPHB4 P54760 2/20 0.47
PRKDC P78527 2/20 0.47
LRRK2 Q5S007 1/20 0.44
MAPK1 P28482 2/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
PDPK1 O15530 1/20 0.43

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
SCHEMBL31367061 0.86 ABL1 (0.58) FGFR1FGFR2FGFR3ABL1SRC
SCHEMBL21467059 0.86 ABL1 (0.58) FGFR1FGFR2FGFR3ABL1SRC
SCHEMBL12347206 0.81 PIK3CD (0.48) FGFR1FGFR2FGFR3ABL1SRC
SCHEMBL2239527 0.74 FGFR1 (0.52) FGFR1FGFR2FGFR3ABL1SRC
SCHEMBL4930122 0.73 YTHDC1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20386115 0.69 FGFR1 (0.51) FGFR1FGFR2FGFR3ABL1SRC
SCHEMBL20748491 0.68 PIK3CG (0.54) ABL1SRCKDRPIK3CDEGFR
SCHEMBL12712690 0.68 NUDT14 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14663812 0.68 FGFR1 (1.00) FGFR1FGFR2FGFR3ABL1SRC
SCHEMBL23917483 0.68 PIK3CD (0.60) ABL1SRCKDRPIK3CDEGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 FGFR1 1088/4885FGFR2 1425/4885FGFR3 997/4885

“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.