SCHEMBL13761127

SCHEMBL13761127

CC(C)(C)c1cnc2c(c1)CNCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
WEE1 P30291 2/20 0.35
PNMT P11086 5/20 0.34
HTR2C P28335 3/20 0.33
ASIC3 Q9UHC3 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
MAP4K1 Q92918 1/20 0.33
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL25156600 0.87 CYP3A4 (0.35) CYP3A4POLBSMN1; SMN2WEE1PNMT
SCHEMBL20312856 0.87 HTR2C (0.38) PNMTHTR2CASIC3HTR2BCD44
SCHEMBL10100734 0.84
SCHEMBL30590165 0.83 ASIC3 (0.42) CYP3A4POLBSMN1; SMN2PNMTHTR2C
SCHEMBL714493 0.83 ASIC3 (0.42) CYP3A4POLBSMN1; SMN2PNMTHTR2C
Hydrochloric Acid SCHEMBL30331765 0.82 ASIC3 (0.41) CYP3A4POLBSMN1; SMN2HTR2CASIC3
Hydrochloric Acid SCHEMBL1119771 0.82 ASIC3 (0.41) CYP3A4POLBSMN1; SMN2HTR2CASIC3
Hydrochloric Acid SCHEMBL1119948 0.82 ASIC3 (0.41) CYP3A4POLBSMN1; SMN2HTR2CASIC3
Hydrochloric Acid SCHEMBL1119945 0.82 ASIC3 (0.41) CYP3A4POLBSMN1; SMN2HTR2CASIC3
SCHEMBL29639953 0.77 PNMT (0.41) CYP3A4POLBSMN1; SMN2PNMTHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US disclosed
US-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US disclosed
US-9181239-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2015-11-10 US disclosed
US-8796259-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20130102590-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC (US) 2013-04-25 US disclosed
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 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 (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-20130102590-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 CYP3A4 1922/4885POLB 1112/4885SMN1; SMN2 3193/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 CYP3A4 2462/4885POLB 2006/4885SMN1; SMN2 1143/4885
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 2273/4885POLB 4194/4885SMN1; SMN2 3716/4885
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CYP3A4 1652/4885POLB 1318/4885SMN1; SMN2 4043/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 CYP3A4 3953/4885POLB 2200/4885SMN1; SMN2 1868/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 CYP3A4 1584/4885POLB 3767/4885SMN1; SMN2 3927/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 CYP3A4 3958/4885POLB 2256/4885SMN1; SMN2 1691/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG CYP3A4 761/4885POLB 3049/4885SMN1; SMN2 3550/4885
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP3A4 2273/4885POLB 4194/4885SMN1; SMN2 3716/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CYP3A4 1652/4885POLB 1318/4885SMN1; SMN2 4043/4885

“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.