SCHEMBL9607548

SCHEMBL9607548

CC(C)(C)c1cnn(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HPGDS O60760 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
GRM4 Q14833 7/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM5B Q9UGL1 1/20 0.40
HTR2B P41595 1/20 0.40
MTNR1A P48039 1/20 0.40
KCNH2 Q12809 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
SCHEMBL15941059 0.85 GAA (0.55) GAAHPGDSALKBH2GRM4NPC1
SCHEMBL26365549 0.83 TSHR (0.45) GAAGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL10183504 0.83 KIF11 (0.42) GAAGRM4
SCHEMBL3606688 0.82 GAA (0.55) GAAHPGDSALKBH2GRM4NPC1
SCHEMBL10183505 0.82 CYP2A6 (0.49) GRM4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19625440 0.81 MAP4K4 (0.43) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL13657996 0.81 GRM4 (0.40) GAAGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL13657993 0.80 NOTUM (0.44) NPC1RAB9AKDM5BEPHX2ACLY
SCHEMBL26054257 0.80 NPC1 (0.47) GRM4NPC1RAB9AEPHX2
SCHEMBL28342606 0.79 NOTUM (0.48) GAAGRM4NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129040-A1 IMMUNOMODULATING AZALIDES ZOETIS SERVICES LLC 2023-04-27 US disclosed
US-20230129040-A1 IMMUNOMODULATING AZALIDES ZOETIS SERVICES LLC 2023-04-27 US disclosed
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-8987314-B2 Amide, urea or sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-8901142-B2 Fused tricyclic compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-19 US disclosed
US-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-02-13 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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 (10 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-20140171456-A1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPTOR GAA 3549/4885HPGDS 1378/4885ALKBH2 4021/4885
US-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL GAA 44/4885HPGDS 1203/4885ALKBH2 2824/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 GAA 4553/4885HPGDS 1135/4885ALKBH2 444/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 GAA 4553/4885HPGDS 1135/4885ALKBH2 444/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF GAA 1958/4885HPGDS 1726/4885ALKBH2 4492/4885
US-20230129040-A1 IMMUNOMODULATING AZALIDES IL2, MALT1, FCGRT GAA 3406/4885HPGDS 958/4885ALKBH2 776/4885
US-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B GAA 400/4885HPGDS 914/4885ALKBH2 60/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 GAA 3203/4885HPGDS 3172/4885ALKBH2 3224/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH GAA 939/4885HPGDS 1743/4885ALKBH2 3246/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B GAA 400/4885HPGDS 914/4885ALKBH2 60/4885

“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.