SCHEMBL1813679

SCHEMBL1813679

COC(=O)C(C)(C)c1ccc[c]n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.39
KCNN4 O15554 1/20 0.37
CYP2C19 P33261 1/20 0.35
SRC P12931 1/20 0.34
BRS3 P32247 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 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
SCHEMBL132189 0.81 MAPT (0.33) MAPT
SCHEMBL504847 0.72 PLCG1 (0.51) PLCG1KCNN4CYP2C19SRCL3MBTL1
SCHEMBL132116 0.72 SMN1; SMN2 (0.31) L3MBTL1
SCHEMBL20910181 0.71 MEN1 (0.48) PLCG1KCNN4GAAMAPT
SCHEMBL30496866 0.70 PLCG1 (0.39) PLCG1KCNN4CYP2C19SRCBRS3
SCHEMBL31216589 0.70 P2RX7 (0.47) PLCG1KCNN4
SCHEMBL21940678 0.70 PLCG1 (0.39) PLCG1KCNN4CYP2C19SRCBRS3
SCHEMBL20890517 0.69 PLCG1 (0.38) PLCG1KCNN4CYP2C19SRCBRS3
SCHEMBL1815634 0.69 IDH1 (0.32)
SCHEMBL128329 0.68 MAPK1 (0.42) CYP2C19GAAMAPTLMNA

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-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 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 (4 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 PLCG1 2967/4885KCNN4 3337/4885CYP2C19 1758/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 PLCG1 2967/4885KCNN4 3337/4885CYP2C19 1758/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 PLCG1 2967/4885KCNN4 3337/4885CYP2C19 1758/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 PLCG1 2967/4885KCNN4 3337/4885CYP2C19 1758/4885

“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.