SCHEMBL21631623

SCHEMBL21631623

CCOC(=O)CNc1ccc(Br)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.54
▸ LMNA P02545 3/20 0.53
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 9/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL29467493 1.00 PTGER4 (0.54) PTGER4LMNAGLAMAPTKDM4E
SCHEMBL2798845 0.82 LMNA (0.52) LMNAGLAMAPTKDM4EGAA
SCHEMBL26920424 0.82 PTGER4 (0.61) PTGER4MAPTALDH1A1KMT2APOLB
SCHEMBL21631638 0.81 LMNA (0.45) PTGER4LMNAGLAMAPTKDM4E
SCHEMBL18322408 0.80 PTGER4 (0.66) PTGER4LMNAMAPTGAAALDH1A1
SCHEMBL29734921 0.80 PTGER4 (0.37) PTGER4LMNAGLAMAPTKDM4E
SCHEMBL26922074 0.79 PTGER4 (0.39) PTGER4LMNAMAPTKDM4EGAA
SCHEMBL9956111 0.78 LMNA (0.55) PTGER4LMNAGLAMAPTKDM4E
SCHEMBL20797587 0.78 PTGER4 (0.56) PTGER4LMNAMAPTALDH1A1RAB9A
SCHEMBL9694220 0.76 LMNA (0.53) LMNAGLAMAPTKDM4EGAA

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 17 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-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-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-11-17 — — 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
CN-114206885-A Pyrazolo [3,4-B ] pyrazine SHP2 phosphatase inhibitors 大冢制药株式会社 2022-03-18 — — CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 PTGER4 3343/4885LMNA 4839/4885GLA 3698/4885
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 PTGER4 898/4885LMNA 3294/4885GLA 2443/4885
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN1, PTPN3 PTGER4 3930/4885LMNA 4822/4885GLA 3830/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 PTGER4 3343/4885LMNA 4839/4885GLA 3698/4885
US-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 PTGER4 898/4885LMNA 3294/4885GLA 2443/4885
US-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN9, PTPN7 PTGER4 4573/4885LMNA 4729/4885GLA 4077/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 PTGER4 4706/4885LMNA 4776/4885GLA 4142/4885

“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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