SCHEMBL22049112

SCHEMBL22049112

N#Cc1ccc2c(n1)CCCN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.36
CTSK P43235 2/20 0.33
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
CYP11B2 P19099 1/20 0.32
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
SOS2 Q07890 1/20 0.31
PARP1 P09874 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL22050059 0.76 OGA (0.37) OGACYP11B2GRM5
SCHEMBL20571278 0.76 MAPT (0.32) OGAMAPK1CASP1KDM4EMAPT
SCHEMBL19153670 0.73 UHRF1 (0.41) OGACASP1KDM4EMAPTCYP11B2
SCHEMBL20572197 0.73 NOTUM (0.36) CASP1KDM4EMAPTCYP11B2CA12
SCHEMBL28500264 0.73 NUDT1 (0.38) CASP1KDM4EMAPTCYP11B2CA12
SCHEMBL29363884 0.73 NOTUM (0.36) CASP1KDM4EMAPTCYP11B2CA12
SCHEMBL20112301 0.73 KDM4E (0.34) CASP1KDM4EMAPTCYP11B2CA12
SCHEMBL16195986 0.72 ITGB3 (0.40)
SCHEMBL18183649 0.71 KDM4E (0.44) MAPK1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL29740385 0.71 SMN1; SMN2 (0.47) MAPK1KDM4EMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
EP-3630770-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS Relay Therapeutics, Inc. (US) 2020-04-08 EP disclosed
WO-2018218133-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-11-29 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 (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-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 OGA 2524/4885CTSK 4017/4885MAPK1 562/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 OGA 3192/4885CTSK 4440/4885MAPK1 304/4885

“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.