SCHEMBL2507539

SCHEMBL2507539

Cc1cc(Nc2ncc3c(=O)n(-c4c(F)cccc4F)c(=O)[nH]c3n2)ccc1N1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.51
TNK2 Q07912 4/20 0.50
FLT3 P36888 3/20 0.50
KDR P35968 3/20 0.49
LCK P06239 2/20 0.49
SRC P12931 2/20 0.49
MAPK14 Q16539 1/20 0.49
KCNH2 Q12809 2/20 0.48
JAK3 P52333 3/20 0.48
JAK2 O60674 2/20 0.48
BTK Q06187 3/20 0.48
AXL P30530 2/20 0.47
WEE1 P30291 2/20 0.47
BRD4 O60885 1/20 0.46
JAK1 P23458 1/20 0.46
BRDT Q58F21 1/20 0.46
CSF1R P07333 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL2501396 0.94 WEE1 (0.55) EGFRTNK2FLT3KCNH2AXL
SCHEMBL2480201 0.90 KCNH2 (0.58) EGFRTNK2FLT3KDRLCK
SCHEMBL2501565 0.89 KCNH2 (0.56) EGFRTNK2KDRLCKSRC
SCHEMBL2503488 0.87 TNK2 (0.56) EGFRTNK2FLT3KDRLCK
SCHEMBL12197654 0.87 TNK2 (0.54) EGFRTNK2FLT3KDRLCK
SCHEMBL2502950 0.87 LCK (0.59) EGFRTNK2FLT3KDRLCK
SCHEMBL2507027 0.87 KCNH2 (0.50) EGFRTNK2FLT3KDRLCK
SCHEMBL2481647 0.86 LCK (0.50) EGFRTNK2FLT3KDRLCK
SCHEMBL2506456 0.85 EGFR (0.54) EGFRTNK2FLT3KCNH2AXL
SCHEMBL2501526 0.85 LCK (0.52) EGFRTNK2FLT3KDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US claimed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP claimed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US claimed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO claimed
US-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US disclosed
US-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US disclosed
US-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 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-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE2, WEE1, CDKL1 EGFR 645/4885TNK2 17/4885FLT3 496/4885

“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.