SCHEMBL15567401

SCHEMBL15567401

CC(C)(C)c1ccc(-c2cc3cnccc3c(=O)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MITF O75030 1/20 0.43
KIF11 P52732 2/20 0.42
PRKDC P78527 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 2/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL3326788 0.84 PTGES (0.51) PTGESMAPTHPGDKDM4EALDH1A1
SCHEMBL15567364 0.82 PTGES (0.46) PTGESMAPTHPGDKDM4EALDH1A1
SCHEMBL28045621 0.80 PTGES (0.69) PTGESMAPTHPGDKDM4EALDH1A1
SCHEMBL15567676 0.73 TNKS (0.48) KDM4EALDH1A1SMN1; SMN2MITFKIF11
SCHEMBL6770574 0.73 F2 (0.49) MAPTHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL1424093 0.73 PRKCA (0.45) PTGESMAPTHPGDKDM4EALDH1A1
SCHEMBL15569142 0.70 PTGES (0.46) PTGESMAPTHPGDKDM4EALDH1A1
SCHEMBL12867833 0.69 PRKDC (0.61) KDM4EKIF11PRKDCNPC1TSHR
SCHEMBL25094082 0.67 KDR (0.56) KDM4EKIF11LMNATRPV1
SCHEMBL29461301 0.67 CYP1A1 (0.51) PTGESMAPTHPGDKDM4EALDH1A1

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 11 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
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 PTGES 767/4885MAPT 4176/4885HPGD 1586/4885

“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.