SCHEMBL21672067

SCHEMBL21672067

C=CCCCN1C(=O)C(C)(C)Oc2ccc(Br)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
WEE1 P30291 1/20 0.33
SYK P43405 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
STK16 O75716 1/20 0.31
LATS1 O95835 1/20 0.31
RET P07949 1/20 0.31
FLT3 P36888 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MST1R Q04912 1/20 0.31
PTK2 Q05397 1/20 0.31
TNK1 Q13470 1/20 0.31
IKBKE Q14164 1/20 0.31
MAP3K11 Q16584 1/20 0.31
BRDT Q58F21 1/20 0.31
ADCK1 Q86TW2 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
NEK9 Q8TD19 1/20 0.31

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
SCHEMBL21671707 0.77 WEE1 (0.48) RENWEE1
SCHEMBL21641741 0.69 WEE1 (0.43) WEE1
SCHEMBL21671864 0.68 DRD2 (0.33) WEE1
SCHEMBL21671972 0.66 WEE1 (0.30) WEE1
SCHEMBL10187834 0.63 LMNA (0.40) PDE3BPDE3A
SCHEMBL20740487 0.62 PTGS1 (0.34) RENELANECTSGPRTN3
SCHEMBL17076733 0.60 SYK (0.49) RENSYKPLK4AURKASTK16
SCHEMBL10237807 0.60 LMNA (0.43) RENSYKELANECTSGPRTN3
SCHEMBL21671699 0.60 HTT (0.44) RENWEE1PDE3BPDE3A
SCHEMBL20138281 0.60 HSD17B10 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2022-02-15 US disclosed
US-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-12-03 US disclosed
EP-3604306-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2020-02-05 EP 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 (2 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-20200377520-A1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF WEE1, WEE2, PDPK1 REN 1929/4885WEE1 1/4885SYK 2258/4885
US-11248006-B2 Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof WEE1, WEE2, PDPK1 REN 1929/4885WEE1 1/4885SYK 2258/4885

“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.