SCHEMBL2501396

SCHEMBL2501396

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 9/20 0.55
KCNH2 Q12809 3/20 0.54
EGFR P00533 6/20 0.52
CYP3A4 P08684 1/20 0.51
TNK2 Q07912 2/20 0.50
AXL P30530 1/20 0.47
FLT3 P36888 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
SCHEMBL2507539 0.94 EGFR (0.51) WEE1KCNH2EGFRTNK2AXL
SCHEMBL2480201 0.94 KCNH2 (0.58) WEE1KCNH2EGFRCYP3A4TNK2
SCHEMBL2501565 0.93 KCNH2 (0.56) WEE1KCNH2EGFRCYP3A4TNK2
SCHEMBL2502965 0.89 WEE1 (0.53) WEE1KCNH2EGFRCYP3A4TNK2
SCHEMBL2501179 0.88 TNK2 (0.54) WEE1KCNH2EGFRTNK2
SCHEMBL2507027 0.88 KCNH2 (0.50) WEE1KCNH2EGFRCYP3A4TNK2
SCHEMBL2479657 0.88 KCNH2 (0.50) WEE1KCNH2EGFRCYP3A4TNK2
SCHEMBL2506456 0.87 EGFR (0.54) WEE1KCNH2EGFRCYP3A4TNK2
SCHEMBL2500634 0.87 KCNH2 (0.54) WEE1KCNH2EGFRCYP3A4TNK2
SCHEMBL12197631 0.86 KCNH2 (0.69) WEE1KCNH2TNK2

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 7 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
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-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

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 WEE1 2/4885KCNH2 2114/4885EGFR 645/4885

“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.