SCHEMBL21653672

SCHEMBL21653672

CN(C)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.34
MET P08581 1/20 0.32
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 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
SCHEMBL29467494 1.00 PTPN11 (0.34) PTPN11METCKS1BSKP1SKP2
SCHEMBL21631467 0.80 PTPN11 (0.38) PTPN11
SCHEMBL3308271 0.76 ADRA2A (0.34)
SCHEMBL30175355 0.76 HRH4 (0.38) PTPN11MET
SCHEMBL23028380 0.76 HRH4 (0.38) PTPN11MET
SCHEMBL30175376 0.74 PTPN11 (0.39) PTPN11
SCHEMBL23028381 0.74 PTPN11 (0.39) PTPN11
SCHEMBL26921749 0.74 PTPN11 (0.35) PTPN11
SCHEMBL29414473 0.72 LPL (0.38)
SCHEMBL1818313 0.72 LPL (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2026-04-16 US disclosed
US-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-11-04 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 US disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 US disclosed
US-11466016-B2 Pharmaceutical compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-10-11 US disclosed
EP-4017855-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2022-06-29 EP disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
WO-2021033153-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 WO disclosed
WO-2021033153-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 WO disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 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 (6 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-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors PTPN5, PTPRZ1, PTPN1 PTPN11 6/4885MET 784/4885CKS1B 658/4885
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 PTPN11 326/4885MET 2122/4885CKS1B 2030/4885
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN1, PTPN3 PTPN11 8/4885MET 333/4885CKS1B 741/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 PTPN11 6/4885MET 784/4885CKS1B 658/4885
US-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 PTPN11 326/4885MET 2122/4885CKS1B 2030/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 PTPN11 6/4885MET 1215/4885CKS1B 481/4885

“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.