SCHEMBL8738333

SCHEMBL8738333

CCc1nc(C(C)(C)C)no1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.36
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.31
HTT P42858 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
SCHEMBL16544514 0.83 SMN1; SMN2 (0.41) PIK3CGAPOBEC3AAPOBEC3GRAB9ASMN1; SMN2
SCHEMBL15945546 0.82 NPC1 (0.45) PIK3CGRAB9ASMN1; SMN2NPC1HTT
SCHEMBL25017351 0.80 SLC6A2 (0.43) ACACBACACAAPOBEC3AAPOBEC3GRAB9A
SCHEMBL21709605 0.80 PIK3CG (0.39) PIK3CGRAB9ASMN1; SMN2NPC1HTT
SCHEMBL19203779 0.80 NOTUM (0.40) PIK3CGRAB9ASMN1; SMN2NPC1HTT
SCHEMBL23222124 0.79 PPARA (0.38) PIK3CGRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL18997069 0.78 PIK3CG (0.34) PIK3CGRAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL1785672 0.77 PIK3CG (0.37) PIK3CGRAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL15945547 0.75 CNR1 (0.33) PIK3CGRAB9ASMN1; SMN2TP53NPC1
Hydrochloric Acid SCHEMBL3712081 0.75 PIK3CG (0.36) PIK3CGRAB9ASMN1; SMN2TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
EP-3468967-B1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC (CA) 2023-07-26 EP disclosed
US-11667643-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-06-06 US disclosed
US-20220009936-A1 RIP1K INHIBITORS MIDCAP FINANCIAL TRUST 2022-01-13 US disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE OPPILAN PHARMA LTD (GB) 2020-10-15 US disclosed
US-20200255475-A1 METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS Kinoxis Therapeutics Pty Ltd (AU) 2020-08-13 US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
US-20200071327-A1 Prodrugs for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2020-03-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF ILDONG PHARM CO., LTD. (KR) 2012-12-06 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS ALLERGAN, INC. (US) 2012-05-24 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER 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-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 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 PIK3CG 857/4885ACACB 3999/4885ACACA 4352/4885
US-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT PIK3CG 4011/4885ACACB 209/4885ACACA 531/4885
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA PIK3CG 13/4885ACACB 2204/4885ACACA 2285/4885
US-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS S1PR1, S1PR3, S1PR2 PIK3CG 394/4885ACACB 2714/4885ACACA 2748/4885
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DHFR PIK3CG 1463/4885ACACB 135/4885ACACA 269/4885
US-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 PIK3CG 929/4885ACACB 3272/4885ACACA 3975/4885
US-20090076064-A1 Compounds CEL, PLA2G2D, CCKBR PIK3CG 3509/4885ACACB 906/4885ACACA 1011/4885
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 PIK3CG 916/4885ACACB 2053/4885ACACA 2620/4885
US-20200255475-A1 METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS OXTR, AVPR2, AVPR1A PIK3CG 3950/4885ACACB 4446/4885ACACA 3968/4885
US-20220009936-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 PIK3CG 282/4885ACACB 1572/4885ACACA 978/4885
US-11667643-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 PIK3CG 282/4885ACACB 1572/4885ACACA 978/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B PIK3CG 1040/4885ACACB 3691/4885ACACA 3868/4885
US-20200071327-A1 Prodrugs for the Treatment of Disease DPYD, PAICS, TYMP PIK3CG 1828/4885ACACB 1249/4885ACACA 2243/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 PIK3CG 814/4885ACACB 2869/4885ACACA 3457/4885
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF CYP3A5, UGT2B7, UGT1A7 PIK3CG 1194/4885ACACB 3843/4885ACACA 4071/4885
US-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 PIK3CG 2740/4885ACACB 1087/4885ACACA 1374/4885

“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.