SCHEMBL6978047

SCHEMBL6978047

C/C=N/OCCN1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CXCR4 P61073 2/20 0.37
LTA4H P09960 1/20 0.36
HSD17B10 Q99714 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6979241 0.84 TDP1 (0.36) POLBLTA4HHSD17B10HRH3
SCHEMBL15865996 0.82 HRH3 (0.38) SMN1; SMN2HRH3
SCHEMBL6956360 0.80 SIGMAR1 (0.40) SIGMAR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13204869 0.80 SMN1; SMN2 (0.33) SIGMAR1POLBSMN1; SMN2CXCR4
SCHEMBL13204962 0.80 SMN1; SMN2 (0.33) SIGMAR1POLBSMN1; SMN2CXCR4
SCHEMBL6978377 0.79 HDAC3 (0.46) SIGMAR1POLBSMN1; SMN2HRH3
SCHEMBL6979248 0.77 HPGD (0.36) MEN1KMT2A
SCHEMBL13017472 0.76 SIGMAR1 (0.45) SIGMAR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6979146 0.74 KDM4E (0.38) SMN1; SMN2HRH2HRH1HRH3
SCHEMBL6976370 0.74 DRD3 (0.48) SIGMAR1HRH3

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
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 EP 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 SIGMAR1 98/4885POLB 3854/4885SMN1; SMN2 4182/4885

“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.