SCHEMBL12225142

SCHEMBL12225142

CSc1ncc(C2OC(C)O2)c(Nc2ccn(C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.38
▸ IGF1R P08069 7/20 0.35
▸ GCK P35557 3/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ MTOR P42345 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ SYK P43405 1/20 0.30

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
SCHEMBL12197611 0.75 LRRK2 (0.42) LRRK2GCKPIK3CAMAPK1MAPK8
SCHEMBL16120490 0.75 LRRK2 (0.42) LRRK2IGF1RGCKPIK3CAMAPK1
SCHEMBL16120663 0.74 HTT (0.44) LRRK2GCKPIK3CAMAPK1MAPK8
SCHEMBL17709583 0.70 LRRK2 (0.38) LRRK2GCKPIK3CAMAPK1MAPK8
SCHEMBL16120666 0.70 LRRK2 (0.38) LRRK2GCKPIK3CAMAPK1MAPK8
SCHEMBL20909971 0.69 SYK (0.41) LRRK2PIK3CAMAPK1MAPK8MAPK9
SCHEMBL31397754 0.68 LRRK2 (0.41) LRRK2IGF1RGCKPIK3CAMAPK1
SCHEMBL2499014 0.68 SYK (0.62) MAPK1SYK
SCHEMBL12223691 0.68 HASPIN (0.32) —
SCHEMBL13174243 0.68 MEN1 (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LRRK2 691/4885IGF1R 202/4885GCK 219/4885

“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.

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