SCHEMBL1820776

SCHEMBL1820776

CC(C)(C)Oc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
SSTR4 P31391 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40

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
SCHEMBL18355266 0.87 KDM4E (0.47) KDM4EMAPTMEN1KMT2A
SCHEMBL15727406 0.80 LOXL2 (0.40) NCF1LOXL2SSTR4AAK1HTR1A
SCHEMBL6627325 0.80 NCF1 (0.39) NCF1LOXL2SSTR4AAK1HTR1A
SCHEMBL828159 0.80 GAK (0.55) NCF1LOXL2HPGDALOX15GAK
SCHEMBL289272 0.79 SSTR4 (0.41) NCF1LOXL2SSTR4AAK1HTR1A
SCHEMBL27508840 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
Iodide SCHEMBL14236731 0.79 GAK (0.54) NCF1LOXL2HPGDALOX15GAK
Iodide SCHEMBL14236729 0.79 GAK (0.54) NCF1LOXL2HPGDALOX15GAK
SCHEMBL9431770 0.78 NCF1 (0.54) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL9969420 0.76 SSTR4 (0.49) NCF1LOXL2SSTR4AAK1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-05-07 US disclosed
US-8987301-B2 Heteroarylaminoquinolines as TGF-beta receptor kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
EP-2496234-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS Merck Patent GmbH (DE) 2012-09-12 EP disclosed
US-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
CN-102596200-A Heteroarylaminoquinolines as tgf-beta receptor kinase inhibitors MERCK PATENT GMBH 2012-07-18 CN disclosed
WO-2011054433-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-05-12 WO disclosed
EP-1377554-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-01-07 EP disclosed
US-6479504-B1 USED IN PREVENTATIVE AND THERAPEUTIC TREATMENTS OF AUTOIMMUNE DISEASES AND PHENOMENA, TRANSPLANT REJECTION SUCH AS HOST-VERSUS-GRAFT DISEASE, AND SEPSIS THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-11-12 US disclosed
WO-2000076982-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2000-12-21 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 (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-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS TGFBR1, TGFBR2, TGFB1 NCF1 2279/4885LOXL2 432/4885SSTR4 3656/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 NCF1 2336/4885LOXL2 915/4885SSTR4 2296/4885
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION CRBN, CBL, STUB1 NCF1 2336/4885LOXL2 915/4885SSTR4 2296/4885

“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.