SCHEMBL6979246

SCHEMBL6979246

CC/C(C)=N\OCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39

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
SCHEMBL16838332 0.89 ALDH1A1 (0.41) GAASMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL16838362 0.86 ALDH1A1 (0.46) GAASMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL6977002 0.86 ALDH1A1 (0.42) GAASMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL9945570 0.84 PSMB1 (0.40) KDM4ELMNAPSMB1PSMB5
SCHEMBL19843484 0.84 KEAP1 (0.43) SMN1; SMN2ALDH1A1KDM4ETDP1HDAC3
SCHEMBL17303306 0.83 ALDH1A1 (0.40) GAASMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL16837522 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4ETDP1HDAC3
SCHEMBL6957260 0.81 GAA (0.40) GAASMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL6977897 0.79 SYK (0.38) GAASMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL6979435 0.79 TACR1 (0.35) GAASMN1; SMN2MEN1KMT2A

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 4 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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (2 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 GAA 1615/4885SMN1; SMN2 4182/4885ALDH1A1 4593/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 GAA 1615/4885SMN1; SMN2 4182/4885ALDH1A1 4593/4885

“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.