SCHEMBL6958844

SCHEMBL6958844

CC/C(=N\OCCN1CCS(=O)(=O)CC1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.31
RAB9A P51151 1/20 0.30
HPGD P15428 2/20 0.30

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
SCHEMBL6955131 0.84 RAB9A (0.33) TACR1RAB9AHPGD
SCHEMBL9975302 0.82 TACR1 (0.33) TACR1RAB9AHPGD
SCHEMBL6979435 0.81 TACR1 (0.35) TACR1HPGD
SCHEMBL6957260 0.79 GAA (0.40) HPGD
SCHEMBL6975379 0.79 HPGD (0.33) TACR1HPGD
SCHEMBL6960155 0.77
SCHEMBL6958957 0.74 KDM4E (0.41) TACR1
SCHEMBL6958653 0.72 HPGD (0.34) HPGD
SCHEMBL9911419 0.70 KDM1A (0.36) RAB9AHPGD
SCHEMBL6979248 0.69 HPGD (0.36) HPGD

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 TACR1 926/4885RAB9A 735/4885HPGD 3062/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 TACR1 926/4885RAB9A 735/4885HPGD 3062/4885

“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.