SCHEMBL21940659

SCHEMBL21940659

CN1CCC2(CC1)Cc1ccccc1[C@H]2N

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 19/20 0.47
KCNH2 Q12809 3/20 0.47

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
SCHEMBL23046087 1.00 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL24388823 1.00 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL30948565 0.87 PTPN11 (0.43) PTPN11KCNH2
SCHEMBL25523410 0.86 HTR2A (0.43) PTPN11KCNH2
SCHEMBL21940872 0.85 PTPN11 (0.39) PTPN11KCNH2
SCHEMBL21940874 0.85 PTPN11 (0.39) PTPN11KCNH2
SCHEMBL22520440 0.84 CYP2D6 (0.47) PTPN11KCNH2
SCHEMBL22520446 0.84 CYP2D6 (0.47) PTPN11KCNH2
SCHEMBL23508887 0.84 KCNH2 (0.47) PTPN11KCNH2
SCHEMBL21887295 0.84 KCNH2 (0.47) PTPN11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed
WO-2022089406-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海青煜医药科技有限公司 2022-05-05 WO disclosed
US-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2022-04-28 US disclosed
WO-2022042331-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-03-03 WO disclosed
EP-3878853-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2021-09-15 EP 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
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 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 (2 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-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 PTPN11 16/4885KCNH2 4661/4885
US-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE PTPN1, PTPN7, PTPN9 PTPN11 10/4885KCNH2 4406/4885

“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.