SCHEMBL20740744

SCHEMBL20740744

CN1C[C@H]2C[C@@]2(c2ccc(Br)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A4 P31645 9/20 0.47
SLC6A2 P23975 8/20 0.46
SLC6A3 Q01959 8/20 0.46
CYP2D6 P10635 4/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL27158028 1.00 KCNH2 (0.48) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL29965455 1.00 KCNH2 (0.48) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL29964787 1.00 KCNH2 (0.48) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL5433122 0.84 KCNH2 (0.49) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL6003999 0.84 KCNH2 (0.49) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL6003376 0.84 KCNH2 (0.49) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL11472691 0.83 KCNH2 (0.51) KCNH2DRD2DRD3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5440038 0.83 KCNH2 (0.48) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL13823322 0.83 KCNH2 (0.48) KCNH2DRD2DRD3SLC6A4SLC6A2
SCHEMBL4076265 0.83 SLC6A4 (0.49) KCNH2DRD2DRD3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
US-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-09-26 US disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
EP-4330252-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN disclosed
CN-117597336-A Halogen substituted amino aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN disclosed
CN-110997654-B Indole derivatives and uses thereof 诺华股份有限公司 2023-08-15 CN disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022226666-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
EP-3658546-B1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-10-26 EP disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 US disclosed
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-02-21 US 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-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF MYLK2, MYOF, MUSK KCNH2 4117/4885DRD2 3721/4885DRD3 4366/4885
US-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, PHKA1 KCNH2 4091/4885DRD2 4555/4885DRD3 4273/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK KCNH2 4117/4885DRD2 3721/4885DRD3 4366/4885
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 KCNH2 2927/4885DRD2 4804/4885DRD3 4742/4885
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 KCNH2 3586/4885DRD2 4636/4885DRD3 4388/4885

“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.