SCHEMBL9973597

SCHEMBL9973597

CC(C)/C=N/OCCN1CCN(C(=O)CS(C)(=O)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.33
HSD11B1 P28845 1/20 0.32
FLT3 P36888 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6958356 0.88 DRD3 (0.34) DRD3HSD11B1POLBNPSR1L3MBTL1
SCHEMBL6954691 0.82 ALDH1A1 (0.39) DRD3HSD11B1POLB
SCHEMBL6956487 0.82 HRH2 (0.41) DRD3HSD11B1L3MBTL1
SCHEMBL6958183 0.81 PIK3CD (0.46) DRD3HSD11B1
SCHEMBL6956533 0.81 HSD11B1 (0.40) DRD3HSD11B1POLB
SCHEMBL6956811 0.79 KDM4E (0.36) NPSR1
SCHEMBL6978378 0.73 DRD3 (0.36) DRD3HSD11B1
SCHEMBL6955961 0.73 PSMB1 (0.38) POLB
SCHEMBL6956777 0.71 TSHR (0.47) POLB
SCHEMBL12726852 0.70 PIK3CD (0.58) POLBNPSR1L3MBTL1

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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
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
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 DRD3 804/4885HSD11B1 3324/4885FLT3 11/4885

“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.