SCHEMBL1128950

SCHEMBL1128950

Brc1ccc(-c2ccc(-n3cccn3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MGLL Q99685 1/20 0.43
HDAC4 P56524 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
TBK1 Q9UHD2 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL482303 0.94 NOTUM (0.64) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL514359 0.84 NOTUM (0.62) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL17125509 0.84 NOTUM (0.62) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL4341894 0.83 NOTUM (0.78) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL14128285 0.81 NOTUM (0.58) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL21289803 0.79 NOTUM (0.51) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL28939691 0.77 MEN1 (0.42) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL28033122 0.77 NOTUM (0.58) NOTUMALDH1A1MAPK1KDM4EMGLL
SCHEMBL173885 0.75 NOTUM (0.67) NOTUMALDH1A1MAPK1KDM4EHDAC4
Formamide SCHEMBL28988939 0.75 MAPK1 (0.60) NOTUMALDH1A1MAPK1KDM4EMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
EP-3010903-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
EP-3010905-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
WO-2014202528-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 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 (2 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 NOTUM 2643/4885ALDH1A1 598/4885MAPK1 436/4885
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY AK2, PRKAA2, PRKAA1 NOTUM 3741/4885ALDH1A1 358/4885MAPK1 727/4885

“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.