SCHEMBL22820372

SCHEMBL22820372

COC(=O)c1cc(Br)ccc1C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NR4A2 P43354 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL30040362 1.00 OPRK1 (0.46) OPRK1ALDH1A1GAANR4A2SMN1; SMN2
SCHEMBL29964430 0.92 OPRK1 (0.42) OPRK1ALDH1A1GAANR4A2SMN1; SMN2
SCHEMBL22820379 0.86 PTGDR (0.49) OPRK1ALDH1A1GAANR4A2KMT2A
SCHEMBL22820451 0.84 MAOA (0.42) KMT2AL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL30648699 0.83 GAA (0.48) OPRK1ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL26640934 0.83 GAA (0.48) OPRK1ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL22820521 0.82 KDM4E (0.45) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL22820454 0.81 KDM4E (0.49) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22820518 0.79 CNR2 (0.39) ALDH1A1KMT2AL3MBTL1CYP1A2CYP2D6
SCHEMBL15567556 0.78 NR4A2 (0.47) OPRK1ALDH1A1GAANR4A2SMN1; SMN2

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 13 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-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
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
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
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
US-20220177458-A1 HPK1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-06-09 — — US disclosed
US-20220169644-A1 BICYCLIC HPK1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-06-02 — — US disclosed
WO-2020255022-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND AMINOPYRIDINE DERIVATIVES AS HPK1 INHIBITORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — 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-20220169644-A1 BICYCLIC HPK1 INHIBITORS PCK1, PGK1, PDXK OPRK1 997/4885ALDH1A1 4202/4885GAA 1087/4885
US-20220177458-A1 HPK1 INHIBITORS PGK1, PCK1, PDXK OPRK1 1081/4885ALDH1A1 3839/4885GAA 927/4885
US-20240317723-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, PHKA1 OPRK1 901/4885ALDH1A1 1256/4885GAA 1905/4885
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 OPRK1 1006/4885ALDH1A1 1521/4885GAA 3039/4885
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 OPRK1 1102/4885ALDH1A1 1439/4885GAA 2284/4885

“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.

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