SCHEMBL4462212

SCHEMBL4462212

Fc1ccc(-c2cnc(Br)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
NPC1 O15118 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
MET P08581 4/20 0.38
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TDO2 P48775 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NOS1 P29475 1/20 0.36
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL10717773 0.87 MAPK1 (0.55) MAPK1NPC1RXFP1PTPN1PTPN6
SCHEMBL10615865 0.79 BCHE (0.47) MAPK1NPC1RAB9AALDH1A1MEN1
SCHEMBL12234576 0.78 MAPK1 (0.43) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL31300151 0.77 CYP19A1 (0.46) MAPK1NPC1RAB9ACYP11B1CYP11B2
SCHEMBL2824810 0.76 PDGFRB (0.40) NPC1RXFP1RAB9ATDO2PDGFRB
SCHEMBL2440370 0.75 NPC1 (0.49) MAPK1NPC1RXFP1PTPN1PTPN6
SCHEMBL6648525 0.75 MAPK1 (0.46) MAPK1NPC1RXFP1PTPN1PTPN6
SCHEMBL2649332 0.75 NPC1 (0.53) MAPK1NPC1RXFP1PTPN1PTPN6
SCHEMBL4474224 0.75 FEN1 (0.51) MAPK1NPC1RXFP1RAB9AALDH1A1
SCHEMBL10165350 0.75 MAPK1 (0.46) MAPK1NPC1RXFP1PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-9371316-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2016-06-21 US disclosed
US-9371316-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2016-06-21 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
CN-100418965-C Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2008-09-17 CN disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
CN-1835950-A Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2006-09-20 CN disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 EP 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 (4 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-20130085148-A1 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 MAPK1 1596/4885NPC1 2147/4885RXFP1 2821/4885
US-20170073339-A1 PYRIDINE DERIVATIVES CYP21A2, CYP26A1, CYP11B1 MAPK1 821/4885NPC1 2391/4885RXFP1 2457/4885
US-20160340310-A9 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 MAPK1 1596/4885NPC1 2147/4885RXFP1 2821/4885
US-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R MAPK1 973/4885NPC1 2382/4885RXFP1 175/4885

“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.