SCHEMBL9975271

SCHEMBL9975271

C/C=N/OCCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 2/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6978377 0.89 HDAC3 (0.46) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL9973596 0.82 ALDH1A1 (0.44) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL6100669 0.80 HRH3 (0.42) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL10811950 0.79 HRH3 (0.41) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL10811954 0.79 HRH3 (0.41) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL13204958 0.78 USP2 (0.33) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL13204863 0.78 USP2 (0.33) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL9975276 0.77 HPGD (0.39) HRH3
SCHEMBL12186271 0.76 HRH3 (0.47) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL22151462 0.74 HRH3 (0.49) HRH3ALDH1A1MAPK1CYP1A2CHRM2

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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 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 (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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 HRH3 190/4885ALDH1A1 4593/4885MAPK1 140/4885

“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.