SCHEMBL6979241

SCHEMBL6979241

C/C=N/OCCN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
LTA4H P09960 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PSMB1 P20618 4/20 0.34
PSMB5 P28074 4/20 0.34
PSMB2 P49721 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15865996 0.98 HRH3 (0.38) TDP1HRH3PSMB1PSMB5PSMB2
SCHEMBL6978047 0.84 SIGMAR1 (0.39) LTA4HPOLBHRH3HSD17B10
SCHEMBL6978377 0.82 HDAC3 (0.46) TDP1KDM4EPOLBHRH3CYP1A2
SCHEMBL9945525 0.80 PSMB1 (0.38) TDP1CARM1PRMT6PRMT8LTA4H
SCHEMBL6979248 0.80 HPGD (0.36)
SCHEMBL9944287 0.79 KDM4E (0.42) TDP1LTA4HKDM4EPOLBHRH3
SCHEMBL9945422 0.79 PSMB1 (0.40) TDP1LTA4HKDM4EHRH3PSMB1
SCHEMBL6955961 0.79 PSMB1 (0.38) TDP1CARM1PRMT6PRMT8LTA4H
SCHEMBL9944259 0.77 PSMB1 (0.44) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL6976370 0.77 DRD3 (0.48) TDP1KDM4EHRH3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772290-B2 Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same Oscotech Inc. (KR) 2014-07-08 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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 (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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 TDP1 4067/4885CARM1 2808/4885PRMT6 2149/4885

“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.