SCHEMBL6978506

SCHEMBL6978506

C/C=N/OCCN(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
CYP2D6 P10635 4/20 0.36
LMNA P02545 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.33
MAOA P21397 2/20 0.33
HTR3A P46098 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL6979900 0.87 MEN1 (0.35) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL6958551 0.77 MEN1 (0.38) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL8024048 0.76
SCHEMBL16123688 0.76
SCHEMBL6977464 0.76
SCHEMBL6977044 0.75 CYP1A2 (0.37) CYP2D6LMNACYP1A2CYP2C9HSD17B10
SCHEMBL6782852 0.72
SCHEMBL13204981 0.72
SCHEMBL13017470 0.71 POLB (0.45) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL9840787 0.71 KMT2A (0.41) MEN1KMT2APOLBCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 3302/4885KMT2A 1949/4885POLB 3854/4885

“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.