SCHEMBL558512

SCHEMBL558512

COCc1cc(O)ncn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 3/20 0.34
MYLK Q15746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PRKCG P05129 1/20 0.34
MAPT P10636 1/20 0.34
PRKCA P17252 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
PKM P14618 1/20 0.32
S1PR4 O95977 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL31493066 0.80 HCAR2 (0.37) HCAR2HTT
SCHEMBL16841158 0.77 PKM (0.36) TDP1ALDH1A1MAPTPKMS1PR4
SCHEMBL25986789 0.77 HRH4 (0.34) TDP1ALDH1A1MAPTPKMS1PR4
SCHEMBL503392 0.76
SCHEMBL558322 0.75 CA2 (0.36) ALDH1A1PKMS1PR4KDM4EKMO
SCHEMBL274345 0.75 S1PR4 (0.37) TDP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL28450558 0.75
SCHEMBL1325051 0.73
SCHEMBL16840699 0.72 CYP1A2 (0.38) MEN1ALDH1A1MAPTAPEX1KMT2A
SCHEMBL19530469 0.72 KDM4E (0.35) PKMKDM4E

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 US disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 EP disclosed
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-09-15 US disclosed
US-9382219-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-05 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO disclosed
US-4956366-A GASTROINTESTINAL DISORDERS, ANTISECRETORY AGENTS FOR GASTRIC ACID SECRETION HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
US-4820708-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS SMITH KLINE & FRENCH LABORATORIES (GB) 1989-04-11 US disclosed
EP-0299389-A2 Substituted thieno-imidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors, gastric protecting agents and as medicaments against intestinal inflammation HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-18 EP disclosed
US-4777172-A ANTIGASTRIC ACID SECRETORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-11 US disclosed
CN-86102398-A The preparation method of substituted benzimidazole derivative 1986-11-12 CN disclosed
EP-0198583-A1 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-10-22 EP 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 (7 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-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK PRKCE 86/4885MYLK 511/4885TDP1 818/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK PRKCE 86/4885MYLK 511/4885TDP1 818/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PRKCE 1250/4885MYLK 1671/4885TDP1 689/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PRKCE 1250/4885MYLK 1671/4885TDP1 689/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK PRKCE 86/4885MYLK 511/4885TDP1 818/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PRKCE 245/4885MYLK 314/4885TDP1 1030/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PRKCE 245/4885MYLK 314/4885TDP1 1030/4885

“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.