SCHEMBL21631669

SCHEMBL21631669

Cn1nc2ccc(C=O)c(Cl)c2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.33
▸ PTPN11 Q06124 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL23508727 0.78 PTPN11 (0.34) MEN1KMT2APTPN11ALDH1A1CYP1A2
SCHEMBL23013784 0.77 PTPN11 (0.34) PTPN11
SCHEMBL21653695 0.76 PTPN11 (0.35) TDP1PTPN11ALDH1A1SMN1; SMN2HTT
SCHEMBL21631683 0.76 PTPN11 (0.33) PTPN11
SCHEMBL23683058 0.76 PTPN11 (0.33) PTPN11
SCHEMBL29021059 0.72 PTPN11 (0.31) PTPN11
SCHEMBL23229326 0.71 PTPN11 (0.32) PTPN11
SCHEMBL23209126 0.70 MEN1 (0.32) MEN1KMT2AGFERHKDC1RXFP1
SCHEMBL10413565 0.68 TDP1 (0.52) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL30474592 0.68 PRMT5 (0.41) ALDH1A1SMN1; SMN2LMNAHTTCYP1A2

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 23 patents — showing the first 20. 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
CN-114206885-B Pyrazolo [3,4-B ] pyrazines SHP2 phosphatase inhibitors 大冢制药株式会社 2025-05-02 — — CN disclosed
CN-112513050-B Heterocyclic compounds which inhibit SHP2 activity 大鹏药品工业株式会社 2024-12-20 — — CN 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-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-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-11-17 — — US disclosed
EP-3827009-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 Taiho Pharmaceutical Co., Ltd. (JP) 2021-06-02 — — EP disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 — — US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 — — US disclosed
CN-112513050-A Heterocyclic compounds inhibiting SHP2 activity 大鹏药品工业株式会社 2021-03-16 — — CN 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
EP-3759111-A1 PHARMACEUTICAL COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2021-01-06 — — EP disclosed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 — — CN disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 — — 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 MEN1 2235/4885KMT2A 1273/4885GFER 3891/4885
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 MEN1 188/4885KMT2A 2886/4885GFER 3698/4885
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN1, PTPN3 MEN1 1842/4885KMT2A 588/4885GFER 3326/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 MEN1 2235/4885KMT2A 1273/4885GFER 3891/4885
US-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN9, PTPN7 MEN1 3034/4885KMT2A 1243/4885GFER 3045/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 MEN1 2874/4885KMT2A 1327/4885GFER 2597/4885

“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.

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