SCHEMBL4919409

SCHEMBL4919409

Nc1ccc(O)c(-c2ccccn2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.70
KDM4C Q9H3R0 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
THRB P10828 2/20 0.49
ALOX15 P16050 2/20 0.49
MEN1 O00255 1/20 0.49
APP P05067 1/20 0.49
CASP1 P29466 1/20 0.49
SNCA P37840 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5687683 0.87 KDM1A (0.59) KDM1AKDM4CL3MBTL1KDM4ENPC1
Hydrochloric Acid SCHEMBL5687735 0.86 KDM1A (0.57) KDM1AKDM4CL3MBTL1KDM4ENPC1
SCHEMBL16405693 0.83 KDM4E (0.50) KDM1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL462513 0.81 KDM1A (0.49) KDM1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL28189029 0.81 KDM1A (1.00) KDM1ANPC1MAPT
SCHEMBL28189031 0.81 KDM1A (1.00) KDM1ANPC1MAPT
Hydrochloric Acid SCHEMBL7085964 0.80 KDM1A (0.48) KDM1AL3MBTL1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL7085962 0.80 KDM1A (0.48) KDM1AL3MBTL1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL7085954 0.80 KDM1A (0.48) KDM1AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL20591288 0.79 KDM4E (0.54) KDM1AL3MBTL1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP claimed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO claimed
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007014607-A1 QUADRATIC ACID DERIVATIVES IN THE FORM OF A PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2007-02-08 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 (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-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME RRS1, RPS3, ADRM1 KDM1A 2542/4885KDM4C 2551/4885L3MBTL1 2074/4885
US-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors CHEK1, CHEK2, SIK1 KDM1A 1319/4885KDM4C 2768/4885L3MBTL1 781/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 KDM1A 904/4885KDM4C 1952/4885L3MBTL1 3654/4885

“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.