SCHEMBL2501565

SCHEMBL2501565

Cc1cc(Nc2ncc3c(=O)n(-c4c(C)cccc4Cl)c(=O)[nH]c3n2)ccc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
WEE1 P30291 9/20 0.55
TNK2 Q07912 3/20 0.52
SRC P12931 2/20 0.52
LCK P06239 1/20 0.52
KDR P35968 1/20 0.52
MAPK14 Q16539 1/20 0.52
CYP3A4 P08684 1/20 0.51
EGFR P00533 4/20 0.51
BRD4 O60885 1/20 0.49

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 0.97 KCNH2 (0.58) KCNH2WEE1TNK2SRCLCK
SCHEMBL2501396 0.93 WEE1 (0.55) KCNH2WEE1TNK2CYP3A4EGFR
SCHEMBL2502965 0.91 WEE1 (0.53) KCNH2WEE1TNK2CYP3A4EGFR
SCHEMBL18117561 0.91 KCNH2 (0.52) KCNH2WEE1TNK2SRCLCK
SCHEMBL2501179 0.90 TNK2 (0.54) KCNH2WEE1TNK2EGFR
SCHEMBL2507027 0.90 KCNH2 (0.50) KCNH2WEE1TNK2SRCLCK
SCHEMBL2479657 0.90 KCNH2 (0.50) KCNH2WEE1TNK2SRCLCK
SCHEMBL2502950 0.89 LCK (0.59) KCNH2WEE1TNK2SRCLCK
SCHEMBL2500634 0.89 KCNH2 (0.54) KCNH2WEE1TNK2CYP3A4EGFR
SCHEMBL2507539 0.89 EGFR (0.51) KCNH2WEE1TNK2SRCLCK

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 2/4885TNK2 17/4885

“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.