SCHEMBL855939

SCHEMBL855939

Cc1nc2cc(Br)c(F)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
IDO1 P14902 1/20 0.43
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
PARP1 P09874 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 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
SCHEMBL30065191 0.84 MAPT (0.50) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL28394278 0.84 MAPT (0.50) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL7991998 0.84 KDM4E (0.55) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL18288212 0.81 MAPT (0.47) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL12819467 0.81 MAPT (0.51) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL10268918 0.79 MAPT (0.50) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL30390720 0.79 MAPT (0.50) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL2947016 0.78 ALDH1A1 (0.53) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL31748522 0.78 EGLN1 (0.44) MAPTKDM4EHPGDALDH1A1EGLN1
SCHEMBL8531612 0.78 MAPT (0.49) MAPTKDM4EPOLBHPGDALDH1A1

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
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-20170001985-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-01-05 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
WO-2015083094-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-11 WO disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (5 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MAPT 1278/4885KDM4E 610/4885POLB 4198/4885
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MAPT 1817/4885KDM4E 2288/4885POLB 2232/4885
US-20170001985-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES TPP1, TPP2, IL4I1 MAPT 1389/4885KDM4E 3213/4885POLB 3862/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MAPT 1639/4885KDM4E 760/4885POLB 4025/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R MAPT 1824/4885KDM4E 2320/4885POLB 2129/4885

“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.