SCHEMBL4774571

SCHEMBL4774571

O=c1[nH]c(-c2ccc(Br)cc2)cc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.61
TNKS2 Q9H2K2 3/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
PARP1 P09874 5/20 0.46
CYP19A1 P11511 1/20 0.46
PARP2 Q9UGN5 1/20 0.44
MAPT P10636 2/20 0.44
CDC25B P30305 2/20 0.44
APAF1 O14727 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL29639160 0.86 TNKS (0.63) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL828493 0.86 TNKS (0.63) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL28924699 0.83 TNKS (0.65) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL30160913 0.83 PARP1 (0.61) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL16578791 0.83 TNKS (0.61) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL28629565 0.83 TNKS (0.61) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL311943 0.83 TNKS (0.61) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL28624953 0.83 PARP1 (0.61) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL30161077 0.83 TNKS (0.65) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL30160687 0.81 TNKS (0.58) TNKSKDM4EALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041257-B Method for synthesizing indene spiro indene [1,2-c ] isoquinoline triketone compound 河南师范大学 2021-08-03 CN disclosed
EP-2882714-B1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
EP-2882714-B1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-9376433-B2 (AZA-)isoquinolinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 US disclosed
US-9376433-B2 (AZA-)isoquinolinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 US disclosed
US-9376433-B2 (AZA-)isoquinolinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 US disclosed
US-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
US-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
US-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
EP-2882714-A2 (AZA-)ISOQUINOLINONE DERIVATIVES Merck Patent GmbH (DE) 2015-06-17 EP disclosed
WO-2014023390-A2 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
WO-2014023390-A2 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TNKS 2508/4885TNKS2 2823/4885CYP1A1 2350/4885
US-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES TANK, TNKS, TDP1 TNKS 2/4885TNKS2 6/4885CYP1A1 314/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TNKS 2461/4885TNKS2 3115/4885CYP1A1 1508/4885

“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.