SCHEMBL306879

SCHEMBL306879

O=C1CCCN1c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
CYP11B2 P19099 4/20 0.52
CYP11B1 P15538 3/20 0.52
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
PIM1 P11309 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HDAC1 Q13547 1/20 0.46
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL31700253 1.00 GAA (0.58) GAACYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL5606442 0.95 GAA (0.53) GAACYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL31500101 0.95 GAA (0.53) GAACYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL22797004 0.89 CYP11B2 (0.54) GAACYP11B2CYP11B1ALDH1A1DRD2
Trifluoroacetic Acid SCHEMBL30547501 0.87 ALDH1A1 (0.50) GAACYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL30777579 0.83 CYP11B1 (0.60) GAACYP11B2CYP11B1ALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL12494588 0.82 ALDH1A1 (0.45) GAACYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL30623522 0.79 HTT (0.56) GAACYP11B2ALDH1A1CYP3A4CHRNB2
SCHEMBL30441248 0.79 HTT (0.56) GAACYP11B2ALDH1A1CYP3A4CHRNB2
SCHEMBL24045800 0.79 CYP11B1 (0.55) GAACYP11B2CYP11B1ALDH1A1CYP1A2

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
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
WO-2014074660-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (3 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 GAA 1146/4885CYP11B2 3426/4885CYP11B1 3102/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR GAA 2532/4885CYP11B2 753/4885CYP11B1 729/4885
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof SOD1, TIMCC, TST GAA 1562/4885CYP11B2 2159/4885CYP11B1 2569/4885

“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.