SCHEMBL2500386

SCHEMBL2500386

Cc1cc(Nc2ncc3c(=O)n(-c4ccccc4Cl)c(=O)[nH]c3n2)ccc1N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
WEE1 P30291 15/20 0.54
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CCND2 P30279 1/20 0.53
CCND3 P30281 1/20 0.53
TNK2 Q07912 2/20 0.45
EGFR P00533 1/20 0.44

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
SCHEMBL12197631 0.92 KCNH2 (0.69) KCNH2WEE1CDK4CCND1CCND2
SCHEMBL2501179 0.92 TNK2 (0.54) KCNH2WEE1TNK2EGFR
SCHEMBL13328654 0.90 KCNH2 (0.54) KCNH2WEE1CDK4CCND1CCND2
SCHEMBL2484802 0.89 WEE1 (0.56) KCNH2WEE1EGFR
SCHEMBL2480133 0.85 CCND3 (0.51) KCNH2WEE1CDK4CCND1CCND2
SCHEMBL2503488 0.84 TNK2 (0.56) KCNH2TNK2EGFR
SCHEMBL2480201 0.83 KCNH2 (0.58) KCNH2WEE1TNK2EGFR
SCHEMBL12005347 0.83 WEE1 (0.68) KCNH2WEE1CDK4CCND1CCND2
SCHEMBL31557122 0.83 WEE1 (0.68) KCNH2WEE1CDK4CCND1CCND2
SCHEMBL2505867 0.83 BRD4 (0.49) KCNH2WEE1TNK2EGFR

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 6 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
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US claimed
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
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 2/4885CDK4 65/4885

“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.