SCHEMBL7898407

SCHEMBL7898407

CN/C(=N/O)c1cc(Br)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
GAA P10253 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
MAPT P10636 3/20 0.33
MAP2K1 Q02750 1/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
FLT1 P17948 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
SCHEMBL7892617 0.78 HTT (0.38) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL14985487 0.77 ALDH2 (0.50) DGAT1KMT2AALDH2ALDH1A3TP53
SCHEMBL2671390 0.75 DGAT1 (0.38) DGAT1GAANPC1RAB9AALDH1A1
SCHEMBL2671322 0.75 GAA (0.56) DGAT1GAANPC1RAB9AALDH1A1
SCHEMBL16011575 0.73 DGAT1 (0.39) DGAT1GAANPC1RAB9AALDH1A1
SCHEMBL2132506 0.73 DGAT1 (0.47) DGAT1GAANPC1RAB9AALDH1A1
SCHEMBL16041813 0.73 DGAT1 (0.47) DGAT1GAANPC1RAB9AALDH1A1
SCHEMBL16026123 0.73 DGAT1 (0.47) DGAT1GAANPC1RAB9AALDH1A1
SCHEMBL16011576 0.73 DGAT1 (0.39) DGAT1GAANPC1RAB9AALDH1A1
SCHEMBL30667925 0.73 DGAT1 (0.39) DGAT1GAANPC1RAB9AALDH1A1

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
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-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use FAETH THERAPEUTICS, INC. 2016-10-06 US disclosed
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 US 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
WO-2012148540-A1 COMBINATION OF KANASE INHIBITORS AND USES THREOF INTELLIKINE, LLC (US) 2012-11-01 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-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use BMX, MTOR, PDPK1 DGAT1 1568/4885GAA 850/4885NPC1 1622/4885
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 DGAT1 1568/4885GAA 850/4885NPC1 1622/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B DGAT1 3957/4885GAA 1944/4885NPC1 1162/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 DGAT1 1568/4885GAA 850/4885NPC1 1622/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 DGAT1 2510/4885GAA 48/4885NPC1 97/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 DGAT1 3254/4885GAA 315/4885NPC1 759/4885

“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.