SCHEMBL2500634

SCHEMBL2500634

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.54
WEE1 P30291 10/20 0.53
CYP3A4 P08684 1/20 0.49
TNK2 Q07912 4/20 0.49
EGFR P00533 2/20 0.47
BRD4 O60885 1/20 0.47
FLT3 P36888 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47

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 0.92 KCNH2 (0.58) KCNH2WEE1CYP3A4TNK2EGFR
SCHEMBL2508695 0.91 EGFR (0.54) KCNH2WEE1EGFRJAK3
SCHEMBL2501565 0.89 KCNH2 (0.56) KCNH2WEE1CYP3A4TNK2EGFR
SCHEMBL12198037 0.88 KCNH2 (0.50) KCNH2WEE1CYP3A4TNK2EGFR
SCHEMBL2503506 0.88 WEE1 (0.61) KCNH2WEE1CYP3A4
SCHEMBL2501396 0.87 WEE1 (0.55) KCNH2WEE1CYP3A4TNK2EGFR
SCHEMBL18117561 0.86 KCNH2 (0.52) KCNH2WEE1CYP3A4TNK2EGFR
SCHEMBL2507027 0.85 KCNH2 (0.50) KCNH2WEE1CYP3A4TNK2EGFR
SCHEMBL2501179 0.85 TNK2 (0.54) KCNH2WEE1TNK2EGFR
SCHEMBL1950036 0.85 WEE1 (0.52) KCNH2WEE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP claimed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US claimed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE 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-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 KCNH2 2356/4885WEE1 2/4885CYP3A4 2184/4885

“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.