SCHEMBL4049057

SCHEMBL4049057

CCn1c(=O)ccc2cc(OC)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.55
GRIK2 Q13002 2/20 0.55
NPSR1 Q6W5P4 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGER4 P35408 1/20 0.48
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45
GSTP1 P09211 1/20 0.44
HTR2C P28335 1/20 0.43
PDE5A O76074 1/20 0.43

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
SCHEMBL20710538 0.89 MAPT (0.67) GRIK1GRIK2NPSR1MAPTSMN1; SMN2
SCHEMBL28979220 0.83 PDE5A (0.62) MAPTSMN1; SMN2KMT2AKDM4EPOLB
SCHEMBL2797929 0.83 KMT2A (0.48) GRIK1GRIK2NPSR1MAPTSMN1; SMN2
SCHEMBL8522381 0.83 KMT2A (0.48) GRIK1GRIK2SMN1; SMN2KMT2AMTNR1A
SCHEMBL8368861 0.82 PTGS1 (0.50) SMN1; SMN2KMT2AKDM4E
SCHEMBL8366395 0.81 MAPT (0.52) MAPTSMN1; SMN2TDP1KMT2AMTNR1A
SCHEMBL2799788 0.79 KMT2A (0.44) GRIK1GRIK2MAPTSMN1; SMN2KMT2A
SCHEMBL6074279 0.78 BRPF1 (0.59) MAPTSMN1; SMN2KMT2AMTNR1AMTNR1B
SCHEMBL9310207 0.78 BTK (0.52) MAPTRXFP1KMT2ACDK4CCND1
SCHEMBL9499012 0.77 KDM4E (0.50) MAPTSMN1; SMN2KMT2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED 2009-10-01 US disclosed
US-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED 2009-10-01 US disclosed
US-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED 2009-10-01 US disclosed
EP-2029584-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-03-04 EP disclosed
WO-2007096618-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096618-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-08-30 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-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE RB1, RBBP5, RRM2B GRIK1 3787/4885GRIK2 3655/4885NPSR1 4096/4885

“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.