SCHEMBL558634

SCHEMBL558634

COc1cc2cnc(N)cc2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDPK1 O15530 1/20 0.47
BRAF P15056 1/20 0.42
FGFR1 P11362 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
EGFR P00533 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL15577744 0.87 AXL (0.46) ALDH1A1KDM4ESMN1; SMN2PDPK1BRAF
SCHEMBL558770 0.87 GAA (0.47) ALDH1A1KDM4ESMN1; SMN2PDPK1BRAF
SCHEMBL29637497 0.80 NOS3 (0.44) ALDH1A1KDM4ESMN1; SMN2NOS3NOS1
SCHEMBL29637494 0.80 NOS3 (0.44) ALDH1A1KDM4ESMN1; SMN2NOS3NOS1
SCHEMBL2894993 0.80 NOS3 (0.44) ALDH1A1KDM4ESMN1; SMN2NOS3NOS1
SCHEMBL3783978 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2PDPK1PDE4A
SCHEMBL4765233 0.77 PDPK1 (0.64) KDM4EPDPK1FGFR1NOS3NOS1
SCHEMBL1488532 0.76 NPC1 (0.59) PDPK1FGFR1NOS3NOS1NOS2
SCHEMBL557986 0.76 NOS3 (0.62) ALDH1A1KDM4EPDPK1NOS3NOS1
SCHEMBL5780395 0.75 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2PDPK1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 EP disclosed
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 EP 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-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
EP-2315761-A1 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2011-05-04 EP disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 WO disclosed
US-4590273-A NEUROLEPTIC HYPOTENSIVE AND ANTIARRHYTHMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0047923-B1 ISOQUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-09 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 (4 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885KDM4E 3667/4885SMN1; SMN2 813/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885KDM4E 3667/4885SMN1; SMN2 813/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885KDM4E 3667/4885SMN1; SMN2 813/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885KDM4E 3667/4885SMN1; SMN2 813/4885

“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.