SCHEMBL22980910

SCHEMBL22980910

OCc1ncc(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.41
PKM P14618 1/20 0.33
KEAP1 Q14145 1/20 0.30

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
SCHEMBL23500869 0.81 AGBL2 (0.38) AGBL2PKM
SCHEMBL30270583 0.81 AGBL2 (0.38) AGBL2PKM
SCHEMBL24423846 0.79 AGBL2 (0.37) AGBL2
SCHEMBL23508963 0.79 AGBL2 (0.41) AGBL2KEAP1
SCHEMBL24631826 0.79 AGBL2 (0.37) AGBL2
SCHEMBL29941432 0.78 AGBL2 (0.43) AGBL2
SCHEMBL134813 0.78 AGBL2 (0.43) AGBL2
Hydrochloric Acid SCHEMBL23093360 0.78 AGBL2 (0.36) AGBL2
SCHEMBL23874363 0.75 SLC22A12 (0.41) AGBL2
SCHEMBL24420107 0.75 AGBL2 (0.41) AGBL2

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-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2024-10-24 US disclosed
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2024-08-06 US disclosed
WO-2023122093-A1 REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-29 WO disclosed
WO-2023122093-A1 REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-29 WO disclosed
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2023-04-06 US disclosed
CN-115916754-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN disclosed
EP-4146626-A2 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS Nuvalent, Inc. (US) 2023-03-15 EP disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 US disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
CN-114829362-A Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor 成都倍特药业股份有限公司 2022-07-29 CN disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021226208-A2 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. (US) 2021-11-11 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
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-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 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 (5 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 AGBL2 361/4885PKM 4061/4885KEAP1 716/4885
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS AGBL2 3037/4885PKM 2466/4885KEAP1 1207/4885
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 AGBL2 3528/4885PKM 2021/4885KEAP1 699/4885
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 AGBL2 3528/4885PKM 2021/4885KEAP1 699/4885
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS AGBL2 3037/4885PKM 2466/4885KEAP1 1207/4885

“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.