SCHEMBL15567700

SCHEMBL15567700

N#Cc1ccncc1C#Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP19A1 P11511 3/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
PTGES O14684 1/20 0.33
CHUK O15111 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15569114 0.93 HTT (0.40) MAOBMAOAHTTKMT2AMEN1
SCHEMBL15775186 0.83 GRM5 (0.49) HTTKMT2AMEN1CYP11B2CYP11B1
SCHEMBL21557996 0.78 KDM4E (0.39) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL21558186 0.78 GAA (0.41) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL15775331 0.76 HTT (0.46) HTTKMT2AMEN1CYP11B2NCOA3
SCHEMBL20043 0.75 HTT (0.50) HTTKMT2AMEN1CYP11B2CYP19A1
SCHEMBL29546988 0.75 HTT (0.50) HTTKMT2AMEN1CYP11B2CYP19A1
SCHEMBL28008782 0.73 LMNA (0.45) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4766762 0.73 APP (0.45) HTTKMT2AMEN1CYP11B2CYP11B1
SCHEMBL8621608 0.71 MAOB (0.64) MAOBMAOACYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES TANK, TNKS, TDP1 MAOB 751/4885MAOA 676/4885HTT 3588/4885

“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.