SCHEMBL2479657

SCHEMBL2479657

Cc1cc(Nc2ncc3c(=O)n(-c4c(Cl)ccnc4Cl)c(=O)[nH]c3n2)ccc1N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
WEE1 P30291 3/20 0.49
BRD4 O60885 1/20 0.48
TNK2 Q07912 4/20 0.48
EGFR P00533 6/20 0.47
FLT3 P36888 1/20 0.46
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
CYP3A4 P08684 1/20 0.45
TTK P33981 1/20 0.45
LCK P06239 1/20 0.45
SRC P12931 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL2480201 0.91 KCNH2 (0.58) KCNH2WEE1BRD4TNK2EGFR
SCHEMBL2501565 0.90 KCNH2 (0.56) KCNH2WEE1BRD4TNK2EGFR
SCHEMBL2507027 0.90 KCNH2 (0.50) KCNH2WEE1BRD4TNK2EGFR
SCHEMBL2506297 0.88 TNK2 (0.51) KCNH2WEE1BRD4TNK2EGFR
SCHEMBL2501396 0.88 WEE1 (0.55) KCNH2WEE1TNK2EGFRFLT3
SCHEMBL2501179 0.86 TNK2 (0.54) KCNH2WEE1TNK2EGFR
SCHEMBL2502965 0.86 WEE1 (0.53) KCNH2WEE1TNK2EGFRCYP3A4
SCHEMBL2505867 0.85 BRD4 (0.49) KCNH2WEE1BRD4TNK2EGFR
SCHEMBL2506456 0.85 EGFR (0.54) KCNH2WEE1BRD4TNK2EGFR
SCHEMBL2507539 0.85 EGFR (0.51) KCNH2WEE1BRD4TNK2EGFR

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 KCNH2 2114/4885WEE1 2/4885BRD4 441/4885

“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.