SCHEMBL6506385

SCHEMBL6506385

c1ccc(NCCN2CCOCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.57
CYP3A4 P08684 6/20 0.57
CYP2C19 P33261 5/20 0.57
ALDH1A1 P00352 5/20 0.57
CYP2D6 P10635 5/20 0.57
TSHR P16473 4/20 0.57
HSD17B10 Q99714 4/20 0.57
HIF1A Q16665 3/20 0.57
CLK4 Q9HAZ1 2/20 0.57
ALOX15 P16050 3/20 0.54
CYP2C9 P11712 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
MITF O75030 1/20 0.53
POLB P06746 1/20 0.53
SMARCA2 P51531 1/20 0.53
CHRM1 P11229 1/20 0.53

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
SCHEMBL11988213 0.91 DRD2 (0.57) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL1256406 0.91 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL28007048 0.86 HRH3 (0.54) CYP1A2CYP2C19DRD2ADRA1ADRD3
SCHEMBL31690833 0.84 HRH3 (0.56) CYP1A2CYP2C19DRD2ADRA1ADRD3
SCHEMBL978209 0.84 DRD2 (0.58) ALDH1A1KDM4EDRD2ADRA1ADRD3
SCHEMBL8010491 0.82 DRD2 (0.60) DRD2ADRA1ADRD3
SCHEMBL27446049 0.82 L3MBTL1 (0.62) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL30417218 0.80 HPGDS (0.58) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL976546 0.79 DRD2 (0.57) POLBDRD2ADRA1ADRD3
SCHEMBL1022159 0.78 DRD2 (0.62) CYP1A2CYP2C19LMNAKDM4EDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108719-A9 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO LTD (KR) 2005-07-28 WO claimed
WO-2004108719-A1 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO claimed
EP-2102189-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
WO-2004108719-A9 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO LTD (KR) 2005-07-28 WO disclosed
WO-2004108719-A9 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO LTD (KR) 2005-07-28 WO disclosed
WO-2004108719-A9 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO LTD (KR) 2005-07-28 WO disclosed
WO-2004108719-A1 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO disclosed
WO-2004108719-A1 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO disclosed
WO-2004108719-A1 2-[2-(4-MORPHOLINO)ETHYLAMINO]PYRIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO 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 (1 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET CYP1A2 3348/4885CYP3A4 3417/4885CYP2C19 2743/4885

“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.