SCHEMBL2535002

SCHEMBL2535002

CN(CCCO)c1ccc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
POLB P06746 1/20 0.33
APP P05067 2/20 0.33
LSS P48449 1/20 0.33
CYBB P04839 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MAPT P10636 2/20 0.32
HTR7 P34969 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL12781461 0.81 HCAR3 (0.38) EGFRMAPTHTR7TRPV1
SCHEMBL30202175 0.81 KDM4E (0.36) MAPTHTR7
SCHEMBL22584934 0.81 KDM4E (0.36) MAPTHTR7
SCHEMBL7982222 0.80 ALDH1A1 (0.37) POLBAPPMAPT
SCHEMBL26930712 0.79 MAPT (0.38) APPMAPTHTR7
SCHEMBL12781457 0.77 ADRA2A (0.38) HTR7
SCHEMBL20576883 0.74 HTR7 (0.34) POLBMAPTHTR7
SCHEMBL14920406 0.72 ALDH1A1 (0.48) APPCYBBNOX4MAPT
SCHEMBL31563753 0.72 ALDH1A1 (0.46) EGFRAPPMAPT
SCHEMBL2100924 0.72 ALDH1A1 (0.46) EGFRAPPMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 EGFR 21/4885POLB 2199/4885APP 2109/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 EGFR 38/4885POLB 1526/4885APP 3915/4885

“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.