SCHEMBL7901113

SCHEMBL7901113

CC(=O)Nc1nc2ccc(Br)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
DYRK1A Q13627 3/20 0.50
PIK3CA P42336 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
AKT1 P31749 1/20 0.43
MTOR P42345 1/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL13257845 0.88 PIK3CA (0.51) NPC1RAB9ADYRK1APIK3CACYP1A2
SCHEMBL9380371 0.83 PIK3CA (0.51) NPC1RAB9ADYRK1APIK3CAMEN1
SCHEMBL15450923 0.83 PIK3CA (0.51) NPC1RAB9ADYRK1APIK3CAMEN1
SCHEMBL7898012 0.79 PIK3CA (0.48) NPC1RAB9APIK3CAMEN1KMT2A
SCHEMBL29957899 0.79 PIK3CA (0.48) NPC1RAB9APIK3CAMEN1KMT2A
SCHEMBL18708698 0.79 NPC1 (0.52) NPC1RAB9APIK3CAMEN1KMT2A
SCHEMBL21389696 0.79 PIK3CA (0.48) NPC1RAB9APIK3CAMEN1KMT2A
SCHEMBL179548 0.79 PIK3CA (0.51) NPC1RAB9ADYRK1APIK3CACYP1A2
SCHEMBL13201517 0.79 ELANE (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL31204048 0.78 DAGLA (0.37) NPC1RAB9ADYRK1APIK3CACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153023-B1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed
EP-3475285-B1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2022-02-09 EP disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 US disclosed
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 US disclosed
EP-3153023-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2017-04-12 EP disclosed
EP-2705181-B1 COMBINATION PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTELLIKINE LLC (US) 2016-12-21 EP disclosed
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents INTELLIKINE LLC 2016-10-06 US disclosed
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
WO-2013070976-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE, LLC (US) 2013-05-16 WO disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2012151562-A1 COMBINATION PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTELLIKINE, LLC (US) 2012-11-08 WO disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 US disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 US disclosed
WO-2010051043-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-05-06 WO disclosed
WO-2010051042-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-05-06 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 (6 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-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 NPC1 1622/4885RAB9A 2472/4885DYRK1A 703/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B NPC1 1162/4885RAB9A 3861/4885DYRK1A 1424/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 NPC1 1622/4885RAB9A 2472/4885DYRK1A 703/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 NPC1 97/4885RAB9A 3154/4885DYRK1A 3965/4885
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents MPL, MTX2, SLC10A1 NPC1 97/4885RAB9A 3154/4885DYRK1A 3965/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 NPC1 759/4885RAB9A 981/4885DYRK1A 1072/4885

“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.