SCHEMBL1812904

SCHEMBL1812904

CSc1ncc2c(=O)n(Cc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
WEE1 P30291 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 5/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
NPC1 O15118 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23126533 0.88 WEE1 (0.48) ALDH1A1KDM4EWEE1L3MBTL1MAPT
SCHEMBL1813314 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EWEE1L3MBTL1MAPT
SCHEMBL23126614 0.84 WEE1 (0.51) WEE1MEN1KMT2A
SCHEMBL23126675 0.84 WEE1 (0.51) ALDH1A1KDM4EWEE1L3MBTL1MAPT
SCHEMBL23126616 0.83 LMNA (0.41) ALDH1A1KDM4EWEE1L3MBTL1MAPT
SCHEMBL23126643 0.83 WEE1 (0.40) ALDH1A1KDM4EWEE1L3MBTL1MAPT
SCHEMBL23126642 0.81 GSK3A (0.54) ALDH1A1KDM4EWEE1MAPTMEN1
SCHEMBL1813991 0.79 WEE1 (0.51) ALDH1A1KDM4EWEE1L3MBTL1MAPT
SCHEMBL1810161 0.76 WEE1 (0.47) WEE1
SCHEMBL23126651 0.75 WEE1 (0.54) WEE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 EP disclosed
US-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-03-23 US disclosed
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
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 (5 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 ALDH1A1 755/4885KDM4E 956/4885WEE1 1/4885
US-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor WEE1, WEE2, CCNE1 ALDH1A1 2046/4885KDM4E 298/4885WEE1 1/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885KDM4E 956/4885WEE1 1/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885KDM4E 956/4885WEE1 1/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885KDM4E 956/4885WEE1 1/4885

“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.