SCHEMBL6978837

SCHEMBL6978837

CC(C)=NOCCN1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ACHE P22303 1/20 0.35
SLC18A3 Q16572 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAOB P27338 1/20 0.33
LTA4H P09960 2/20 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
SCHEMBL15304803 0.90 LTA4H (0.42) HRH3HRH2HRH1LTA4H
SCHEMBL6980020 0.84 GNAI3 (0.42) SPHK1HRH3HRH2HRH1SLC18A3
SCHEMBL6978681 0.81 PSMB1 (0.39) KDM4ELTA4H
SCHEMBL6979499 0.80 HTR1A (0.45) ALDH1A1HRH3HRH2HRH1
SCHEMBL9975277 0.79 PSMB1 (0.41) ALDH1A1HRH3KDM4E
SCHEMBL6976253 0.79 PAOX (0.39) MEN1ALDH1A1RAB9AKMT2AHRH3
SCHEMBL13151498 0.79 PSMB1 (0.41) ALDH1A1HRH3KDM4E
Hydrochloric Acid SCHEMBL28035282 0.78 PSMB1 (0.41) ALDH1A1KMT2AHRH3KDM4E
SCHEMBL6980178 0.78 LTA4H (0.50) LTA4H
SCHEMBL6977002 0.76 ALDH1A1 (0.42) MEN1ALDH1A1KMT2AHRH3KDM4E

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 5 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-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 KCNA3 3248/4885SPHK1 2201/4885MEN1 3302/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 KCNA3 3248/4885SPHK1 2201/4885MEN1 3302/4885

“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.