SCHEMBL10089709

SCHEMBL10089709

CC(C)(C)c1cn(C(C)(C)C)nn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
DPP4 P27487 1/20 0.38
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AR P10275 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31

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
SCHEMBL18623671 0.84 AR (0.39) GABRA2GABRB2ARKDM4E
SCHEMBL19704560 0.83 DPP4 (0.32) GABRA2GABRB2DPP4
SCHEMBL25511448 0.82 AR (0.31) GABRA2GABRB2AR
SCHEMBL18812323 0.82 GABRA2 (0.37) GABRA2GABRB2DPP4HRH4HRH3
SCHEMBL27019753 0.82 GABRA2 (0.37) GABRA2GABRB2DPP4HRH4HRH3
SCHEMBL18623676 0.82 AR (0.49) GABRA2GABRB2ARCA12CA9
SCHEMBL18812340 0.82 AR (0.31) GABRA2GABRB2AR
SCHEMBL15491906 0.82 AR (0.31) GABRA2GABRB2DPP4AR
SCHEMBL22030529 0.82 GABRA2 (0.37) GABRA2GABRB2DPP4HRH4HRH3
SCHEMBL25983001 0.82 GABRA2 (0.37) GABRA2GABRB2DPP4HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2024-07-04 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20240067952-A1 REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT UNIV YALE (US) 2024-02-29 US disclosed
US-20240067952-A1 REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT UNIV YALE (US) 2024-02-29 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-11912709-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease UNIVERSITY OF MASSACHUSETTS (US) 2024-02-27 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 US disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 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 (16 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-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GABRA2 89/4885GABRB2 77/4885DPP4 988/4885
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents HIF1AN, HIF1A, HYOU1 GABRA2 2868/4885GABRB2 2069/4885DPP4 4611/4885
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC GABRA2 3924/4885GABRB2 3746/4885DPP4 2249/4885
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same PCNA, DCX, HPGDS GABRA2 3484/4885GABRB2 3220/4885DPP4 2231/4885
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GABRA2 83/4885GABRB2 71/4885DPP4 1812/4885
US-11912709-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease PBRM1, MGMT, TOP1 GABRA2 3163/4885GABRB2 3281/4885DPP4 4766/4885
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GABRA2 107/4885GABRB2 97/4885DPP4 1065/4885
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM2 GABRA2 82/4885GABRB2 88/4885DPP4 960/4885
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GABRA2 69/4885GABRB2 64/4885DPP4 1666/4885
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 GABRA2 4097/4885GABRB2 3316/4885DPP4 2641/4885
US-12043629-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 GABRA2 4052/4885GABRB2 3575/4885DPP4 1861/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP GABRA2 2246/4885GABRB2 1724/4885DPP4 3330/4885
US-20240067952-A1 REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT PLAUR, CD47, CD14 GABRA2 2182/4885GABRB2 2467/4885DPP4 1668/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC GABRA2 4686/4885GABRB2 4576/4885DPP4 3759/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD GABRA2 2272/4885GABRB2 2209/4885DPP4 591/4885
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 GABRA2 452/4885GABRB2 350/4885DPP4 3177/4885

“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.