SCHEMBL2017366

SCHEMBL2017366

CCn1c(CO)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
KMT2A Q03164 3/20 0.62
PKM P14618 3/20 0.62
MEN1 O00255 2/20 0.62
KDM4E B2RXH2 2/20 0.61
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
HTT P42858 1/20 0.59
TNF P01375 1/20 0.57
TSHR P16473 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
CRHBP P24387 1/20 0.56

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
SCHEMBL1520364 0.86 POLB (0.69) POLBKMT2APKMMEN1KDM4E
SCHEMBL9598289 0.86 PKM (0.68) KMT2APKMMEN1KDM4ELMNA
SCHEMBL2900203 0.85 MEN1 (0.66) KMT2APKMMEN1KDM4ELMNA
Iodide SCHEMBL2892303 0.84 MEN1 (0.64) KMT2APKMMEN1KDM4ELMNA
Iodide SCHEMBL2900263 0.84 MEN1 (0.64) KMT2APKMMEN1KDM4ELMNA
SCHEMBL9675651 0.83 POLB (0.60) POLBKMT2AMEN1KDM4ELMNA
SCHEMBL1520593 0.82 SMN1; SMN2 (0.64) POLBKMT2AMEN1KDM4ELMNA
SCHEMBL31174247 0.82 ALDH1A1 (0.56) POLBKMT2AMEN1KDM4ELMNA
SCHEMBL31174246 0.82 ALDH1A1 (0.56) POLBKMT2AMEN1KDM4ELMNA
SCHEMBL8292031 0.82 CYP1A2 (0.64) KMT2APKMMEN1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393372-B Benzimidazole derivative and preparation method and application thereof 中国药科大学 2022-08-26 CN disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed
CN-111393372-A Benzimidazole derivative and preparation method and application thereof 中国药科大学 2020-07-10 CN disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
WO-2011151651-A1 BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2011-12-08 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
US-7297382-B2 Ink-jet recording material AGFA-GEVAERT (BE) 2007-11-20 US disclosed
US-7297382-B2 Ink-jet recording material AGFA-GEVAERT (BE) 2007-11-20 US disclosed
US-6767909-B2 CARDIOVASCULAR DISORDERS; VASOCONSTRICTION OY JUVANTIA PHARMA LTD. (FI) 2004-07-27 US disclosed
EP-1417182-A1 COMPOUNDS USEFUL FOR TREATMENT OR PREVENTION OF DISEASE MEDIATED BY ALPHA-2B-ADRENOCEPTOR Oy Juvantia Pharma Ltd (FI) 2004-05-12 EP disclosed
US-20030073710-A1 Compounds useful for treatment or prevention of disease mediated by alpha-2B-adrenoceptor OY JUVANTIA PHARMA LTD (FI) 2003-04-17 US disclosed
WO-2003008387-A1 COMPOUNDS USEFUL FOR TREATMENT OR PREVENTION OF DISEASE MEDIATED BY ALPHA-2B-ADRENOCEPTOR OY JUVANTIA PHARMA LTD (FI) 2003-01-30 WO 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 (6 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 POLB 1732/4885KMT2A 3927/4885PKM 2066/4885
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 POLB 4331/4885KMT2A 2181/4885PKM 2176/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 POLB 4543/4885KMT2A 1833/4885PKM 2122/4885
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 POLB 1095/4885KMT2A 2066/4885PKM 1503/4885
US-20030073710-A1 Compounds useful for treatment or prevention of disease mediated by alpha-2B-adrenoceptor ADRB2, ADRB3, ADRB1 POLB 1669/4885KMT2A 2573/4885PKM 1839/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 POLB 1095/4885KMT2A 2066/4885PKM 1503/4885

“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.