SCHEMBL22048959

SCHEMBL22048959

Cn1cc(-c2ccc3ncccc3c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.65
EGFR P00533 1/20 0.64
ERBB2 P04626 1/20 0.64
ERBB4 Q15303 1/20 0.64
NPC1 O15118 1/20 0.64
POLB P06746 1/20 0.64
RAB9A P51151 1/20 0.64
DYRK1A Q13627 3/20 0.62
WNT1 P04628 1/20 0.62
PDE3B Q13370 3/20 0.61
PDE3A Q14432 3/20 0.61
NQO2 P16083 2/20 0.54
PIP4K2C Q8TBX8 2/20 0.54
ABL1 P00519 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53
MAP3K19 Q56UN5 1/20 0.53
DYRK1B Q9Y463 1/20 0.53

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
SCHEMBL13355086 0.88 MET (0.62) METEGFRERBB2ERBB4NPC1
SCHEMBL29870164 0.81 WNT1 (0.55) METDYRK1AWNT1
SCHEMBL26175363 0.80 ALK (0.57) METEGFRERBB2ERBB4
SCHEMBL30828787 0.80 MET (0.62) METEGFRERBB2ERBB4NPC1
SCHEMBL30743 0.80 NPC1 (1.00) NPC1POLBRAB9ADYRK1A
SCHEMBL29757180 0.80 NPC1 (1.00) NPC1POLBRAB9ADYRK1A
SCHEMBL30964876 0.79 ABL1 (0.52) METDYRK1AWNT1ABL1
SCHEMBL23916248 0.79 DYRK1A (0.80) DYRK1AWNT1
SCHEMBL32665275 0.79 DYRK1A (1.00) DYRK1AWNT1
SCHEMBL20948274 0.79 DYRK1A (0.80) DYRK1AWNT1

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 MET 641/4885EGFR 1271/4885ERBB2 243/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 MET 928/4885EGFR 1367/4885ERBB2 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.