SCHEMBL4316072

SCHEMBL4316072

COc1ccc2[nH]c(C(C)(C)C)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.66
PDGFRB P09619 3/20 0.54
PDGFRA P16234 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SYK P43405 1/20 0.52
CA2 P00918 1/20 0.51
FLT3 P36888 6/20 0.50
CFTR P13569 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 2/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4014895 0.86 MEN1 (0.53) AXLPDGFRBPDGFRAKDM4EMEN1
SCHEMBL1429733 0.84 AXL (0.59) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL26265492 0.81 KDM4E (0.51) AXLKDM4EMEN1KMT2AMAPT
SCHEMBL74023 0.79 AXL (1.00) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL30235444 0.79 AXL (1.00) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL29224009 0.79 CA2 (0.48) AXLPDGFRBPDGFRAKDM4EMEN1
SCHEMBL28764435 0.79 AXL (0.53) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL28582802 0.77 KDM4E (0.47) AXLPDGFRBPDGFRAKDM4EMEN1
SCHEMBL10771747 0.76 AXL (0.67) AXLPDGFRBPDGFRALOXL2KDM4E
SCHEMBL31276626 0.76 KIF11 (0.46) SYKCFTRALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 US disclosed
EP-3442955-B1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE US HEALTH (US) 2021-09-29 EP disclosed
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 WO disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 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 (11 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 AXL 1392/4885PDGFRB 554/4885PDGFRA 370/4885
US-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 AXL 3764/4885PDGFRB 3063/4885PDGFRA 2779/4885
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 AXL 1238/4885PDGFRB 2159/4885PDGFRA 2377/4885
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 AXL 1160/4885PDGFRB 973/4885PDGFRA 1027/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 AXL 1937/4885PDGFRB 4229/4885PDGFRA 4400/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF AXL 3437/4885PDGFRB 3216/4885PDGFRA 3317/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 AXL 1220/4885PDGFRB 1938/4885PDGFRA 2137/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 AXL 4383/4885PDGFRB 910/4885PDGFRA 595/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH AXL 3973/4885PDGFRB 4321/4885PDGFRA 4283/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 AXL 3951/4885PDGFRB 2911/4885PDGFRA 2180/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 AXL 1906/4885PDGFRB 183/4885PDGFRA 142/4885

“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.