SCHEMBL18330207

SCHEMBL18330207

CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(F)(F)F)CC12CCN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PDE4B Q07343 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TACR1 P25103 1/20 0.40
NAMPT P43490 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CTSL P07711 1/20 0.39
STS P08842 1/20 0.39
P2RY1 P47900 1/20 0.39

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
SCHEMBL28452865 1.00 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29364160 0.89 SMN1; SMN2 (0.47) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8326625 0.89 SMN1; SMN2 (0.47) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL18860228 0.89 SMN1; SMN2 (0.47) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL25046303 0.83 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29467496 0.83 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29455941 0.83 KDM1A (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL6947042 0.83 PDE4B (0.44) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29467502 0.82 KDM1A (0.51) KDM1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL20337417 0.81 BTK (0.34) KMT2AMEN1

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
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-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 CN disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 US disclosed
EP-4017855-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2022-06-29 EP disclosed
US-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-03-24 US 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
CN-112625028-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2021-04-09 CN disclosed
CN-107922388-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-12-29 CN disclosed
CN-107787323-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-09-01 CN disclosed
WO-2016203404-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 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 (4 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-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 KDM1A 574/4885HTT 1275/4885SMN1; SMN2 3724/4885
US-12458640-B2 Pyrazolo[3,4-b]pyrazine SHP2 phosphatase inhibitors PTPN5, PTPRZ1, PTPN1 KDM1A 898/4885HTT 1403/4885SMN1; SMN2 3093/4885
US-20260102394-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN1, PTPN3 KDM1A 284/4885HTT 2538/4885SMN1; SMN2 2037/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 KDM1A 898/4885HTT 1403/4885SMN1; SMN2 3093/4885

“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.