SCHEMBL29920973

SCHEMBL29920973

Nc1cc(Br)cc2[nH]ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 12/20 1.00
IDO1 P14902 11/20 1.00
NOS1 P29475 3/20 0.46
DYRK1A Q13627 2/20 0.46
METAP2 P50579 2/20 0.46
PDPK1 O15530 1/20 0.44
JAK2 O60674 1/20 0.44
CHEK1 O14757 1/20 0.44
AXL P30530 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL1118862 1.00 TDO2 (1.00) TDO2IDO1NOS1DYRK1AMETAP2
SCHEMBL17875686 0.79 TDO2 (0.66) TDO2IDO1NOS1DYRK1AMETAP2
SCHEMBL1709837 0.76 IDO1 (0.61) TDO2IDO1NOS1DYRK1AMETAP2
SCHEMBL1318814 0.76 TDO2 (0.61) TDO2IDO1NOS1DYRK1AMETAP2
SCHEMBL30861084 0.76 IDO1 (0.61) TDO2IDO1METAP2CHEK1
SCHEMBL16618130 0.76 IDO1 (0.61) TDO2IDO1NOS1DYRK1AMETAP2
SCHEMBL2289231 0.76 IDO1 (0.61) TDO2IDO1NOS1DYRK1AMETAP2
SCHEMBL304051 0.76 IDO1 (0.61) TDO2IDO1METAP2CHEK1
SCHEMBL22499161 0.76 TDO2 (0.61) TDO2IDO1NOS1DYRK1AMETAP2
SCHEMBL29410369 0.76 IDO1 (0.61) TDO2IDO1NOS1DYRK1AMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
US-11446306-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2022-09-20 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 (1 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-11446306-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 TDO2 4012/4885IDO1 1654/4885NOS1 4773/4885

“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.