SCHEMBL318514

SCHEMBL318514

Cc1cc(Cl)c2cccc(C)c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CRHR1 P34998 2/20 0.59
NR4A2 P43354 4/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
PSMD14 O00487 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
RAD52 P43351 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL3063558 0.86 NR4A2 (0.71) MAPTL3MBTL1CRHR1NR4A2KDM4E
SCHEMBL30827899 0.85 LMNA (0.51) MAPTL3MBTL1CRHR1NR4A2TP53
SCHEMBL7699184 0.85 LMNA (0.51) MAPTL3MBTL1CRHR1NR4A2TP53
Ammonia Solution, Strong SCHEMBL28093124 0.83 LMNA (0.50) MAPTL3MBTL1CRHR1NR4A2TP53
SCHEMBL8966258 0.82 KDM4E (0.69) MAPTL3MBTL1CRHR1NR4A2TP53
SCHEMBL20304317 0.81 L3MBTL1 (0.44) MAPTL3MBTL1CRHR1NR4A2TP53
SCHEMBL18197787 0.81 NR4A2 (0.47) MAPTL3MBTL1CRHR1NR4A2TP53
SCHEMBL661993 0.81 MAPT (0.60) MAPTL3MBTL1CRHR1NR4A2MEN1
SCHEMBL317207 0.81 MAPT (0.60) MAPTL3MBTL1CRHR1NR4A2KDM4E
SCHEMBL3051550 0.81 MAPT (0.60) MAPTL3MBTL1CRHR1NR4A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-11 US disclosed
EP-3186250-B1 SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
US-20180037582-A1 SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-08 US disclosed
US-9828374-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
EP-3186250-A1 SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-20170145010-A1 SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
CN-106470994-A For treating substituted pyrazine simultaneously [2,1 A] isoquinilone derivatives of CNS disease 豪夫迈·罗氏有限公司 2017-03-01 CN disclosed
WO-2016030306-A1 SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-03 WO disclosed
WO-2016022644-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO disclosed
WO-2016022645-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
EP-0113432-B1 CHLOROMETHYL QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE ALKALOIDA VEGYéSZETI GYáR (HU) 1993-03-17 EP disclosed
CN-1017244-B Process for preparing triazolyl quinoline derivatives ALKALOIDA WEGYESZETI GYAR (HU) 1992-07-01 CN disclosed
US-5104884-A Rheumatic diseases, fungicides ALKALOIDA VEGYESZETI GYAR (HU) 1992-04-14 US disclosed
EP-0221947-B1 TRIAZOLYL QUINOLINE DERIVATIVES ALKALOIDA VEGYéSZETI GYáR (HU) 1990-11-28 EP disclosed
CN-86103997-A The preparation method of triazolyl quinoline derivative class 1987-12-30 CN disclosed
EP-0221947-A1 TRIAZOLYL QUINOLINE DERIVATIVES. ALKALOIDA VEGYESZETI GYAR (HU) 1987-05-20 EP disclosed
WO-1986006721-A1 TRIAZOLYL QUINOLINE DERIVATIVES ALKALOIDA VEGYÉSZETI GYÁR (HU) 1986-11-20 WO disclosed
US-4599345-A BACTERICIDES, FUNGICIDES ANTIINFLAMMATORY ALKALOIDE VEGYESZETI GYAR (HU) 1986-07-08 US disclosed
EP-0113432-A1 Chloromethyl quinoline derivatives, process for their preparation and their use ALKALOIDA VEGYéSZETI GYáR (HU) 1984-07-18 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 (3 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-20170145010-A1 SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES HCRTR2, CYP11B2, CYP1A2 MAPT 2352/4885L3MBTL1 1800/4885CRHR1 148/4885
US-20180037582-A1 SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES HCRTR2, HCRTR1, CYP11B2 MAPT 1870/4885L3MBTL1 2644/4885CRHR1 52/4885
US-10316036-B2 Substituted pyrazino[2,2-a]isoquinoline derivatives HCRTR2, HCRTR1, CYP11B2 MAPT 1870/4885L3MBTL1 2644/4885CRHR1 52/4885

“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.