SCHEMBL20938995

SCHEMBL20938995

OC1(c2cc(Cl)cc3[nH]ncc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
NOS1 P29475 3/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL30602739 1.00 METAP2 (0.45) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL17738740 0.94 METAP2 (0.43) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL17739249 0.93 METAP2 (0.40) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL17739237 0.93 METAP2 (0.40) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL17731744 0.92 METAP2 (0.42) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL17738671 0.90 METAP2 (0.40) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL20002461 0.88 METAP2 (0.41) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL20042288 0.86 METAP2 (0.40) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL20002533 0.84 METAP2 (0.39) METAP2IDO1TDO2NOS1DYRK1A
SCHEMBL20939136 0.84 METAP2 (0.40) METAP2IDO1TDO2NOS1DYRK1A

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-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2023-01-10 US claimed
US-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-10-29 US claimed
CN-111601808-A Heterocyclic compounds, compositions thereof, and methods of use 捷思英达医药技术(上海)有限公司 2020-08-28 CN claimed
CN-111601808-B Heterocyclic compounds and compositions and methods of use thereof 捷思英达医药技术(上海)有限公司 2023-09-08 CN disclosed
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2023-01-10 US disclosed
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2023-01-10 US disclosed
US-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-10-29 US disclosed
US-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-10-29 US disclosed
CN-111601808-A Heterocyclic compounds, compositions thereof, and methods of use 捷思英达医药技术(上海)有限公司 2020-08-28 CN disclosed
WO-2019076358-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-04-25 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-20200339533-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF IDO1, TDO2, IDO2 METAP2 735/4885IDO1 1/4885TDO2 2/4885
US-11548868-B2 Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof IDO1, TDO2, IDO2 METAP2 735/4885IDO1 1/4885TDO2 2/4885

“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.