SCHEMBL84066

SCHEMBL84066

Fc1ccc2nc(Br)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.59
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TLR2 O60603 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KMT2A Q03164 2/20 0.38
GFER P55789 2/20 0.37
AXL P30530 1/20 0.37
TYMS P04818 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34

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
SCHEMBL14352496 0.84 CYP1A2 (0.44) BACE1CYP1A2CYP2A6KDM4EKMT2A
SCHEMBL31500116 0.84 CYP1A2 (0.44) BACE1CYP1A2CYP2A6KDM4EKMT2A
SCHEMBL4889091 0.77 BACE1 (0.63) BACE1CYP1A2CYP2A6PDE3BPDE3A
SCHEMBL30527824 0.77 BACE1 (0.63) BACE1CYP1A2CYP2A6TLR2KDM4E
SCHEMBL1914302 0.77 BACE1 (0.63) BACE1CYP1A2CYP2A6TLR2KDM4E
SCHEMBL3304612 0.74 CYP2A6 (0.48) BACE1CYP2A6PDE3BPDE3AHDAC1
SCHEMBL14330632 0.74 CYP1A2 (0.63) BACE1CYP1A2CYP2A6PDE3BPDE3A
SCHEMBL19337420 0.74 BACE1 (0.59) BACE1CYP1A2CYP2A6PDE3BPDE3A
SCHEMBL1722114 0.74 BACE1 (0.59) BACE1CYP1A2CYP2A6PDE3BPDE3A
SCHEMBL384813 0.74 CYP1A2 (0.63) BACE1CYP1A2CYP2A6KDM4ETSHR

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558478-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2025-05-28 EP disclosed
WO-2025090514-A1 COVALENT SARM1 INHIBITORS NURA BIO, INC. (US) 2025-05-01 WO disclosed
CN-119894865-A Aryl hydrocarbon receptor agonist prodrugs and methods of use thereof 元启(苏州)生物制药有限公司 2025-04-25 CN disclosed
WO-2024020170-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-01-25 WO disclosed
WO-2024020170-A1 ARYL HYDROCARBON RECEPTOR AGONIST PRODRUGS AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-01-25 WO disclosed
CN-115925685-B Triheteroaryltertiary amine and synthesis method thereof 南昌大学 2023-05-16 CN disclosed
CN-115925685-A Tri-heteroaryl tertiary amine and synthesis method thereof 南昌大学 2023-04-07 CN disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed
WO-2010010288-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-28 WO disclosed
EP-1272168-B2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS INC (US) 2009-10-28 EP disclosed
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 US disclosed
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 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 (3 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 BACE1 3573/4885CYP1A2 4879/4885CYP2A6 4862/4885
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO BACE1 21/4885CYP1A2 2242/4885CYP2A6 2633/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO BACE1 3428/4885CYP1A2 4051/4885CYP2A6 4348/4885

“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.