SCHEMBL21383675

SCHEMBL21383675

NC1c2ccccc2CC12CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 3/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HTR2C P28335 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL30274688 1.00 PTPN11 (0.37) PTPN11HTR2AKCNH2DPP9DPP7
SCHEMBL29352364 1.00 PTPN11 (0.37) PTPN11HTR2AKCNH2DPP9DPP7
SCHEMBL21383761 1.00 PTPN11 (0.37) PTPN11HTR2AKCNH2DPP9DPP7
SCHEMBL22493782 1.00 PTPN11 (0.37) PTPN11HTR2AKCNH2DPP9DPP7
Hydrochloric Acid SCHEMBL31033471 0.98 PTPN11 (0.36) PTPN11HTR2AKCNH2DPP9DPP7
Hydrochloric Acid SCHEMBL21383746 0.98 PTPN11 (0.36) PTPN11HTR2AKCNH2DPP9DPP7
Hydrochloric Acid SCHEMBL28960494 0.98 PTPN11 (0.36) PTPN11HTR2AKCNH2DPP9DPP7
Hydrochloric Acid SCHEMBL21383835 0.98 PTPN11 (0.36) PTPN11HTR2AKCNH2DPP9DPP7
Hydrochloric Acid SCHEMBL21384023 0.98 PTPN11 (0.36) PTPN11HTR2AKCNH2DPP9DPP7
Hydrochloric Acid SCHEMBL30529389 0.98 PTPN11 (0.36) PTPN11HTR2AKCNH2DPP9DPP7

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2025-07-10 US claimed
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2025-07-10 US disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
US-12233062-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-02-25 US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
US-20240285617-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-08-29 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20240245681-A1 HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBO PHARMACEUTICATS CO LTD (CN) 2024-07-25 US disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
WO-2021148010-A1 PYRAZOLO HETEROARYL RING COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-07-29 WO disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
EP-3768668-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2021-01-27 EP disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 CN disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
CN-111295374-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2020-06-16 CN disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 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-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ PTPN11 13/4885HTR2A 3938/4885KCNH2 4068/4885
US-20240245681-A1 HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN1, PTPN5, PTPN2 PTPN11 11/4885HTR2A 4235/4885KCNH2 4262/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 PTPN11 14/4885HTR2A 4480/4885KCNH2 4635/4885
US-20240285617-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN1, PTPN5, PTPN2 PTPN11 9/4885HTR2A 4302/4885KCNH2 4301/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC PTPN11 20/4885HTR2A 4287/4885KCNH2 4731/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 PTPN11 14/4885HTR2A 4480/4885KCNH2 4635/4885
US-12233062-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPN1, PTPN5, PTPN2 PTPN11 11/4885HTR2A 4235/4885KCNH2 4262/4885

“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.