SCHEMBL3529995

SCHEMBL3529995

O=C(Nc1ccc(Br)cc1CBr)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
AR P10275 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DYRK1A Q13627 1/20 0.36
KCNK2 O95069 1/20 0.36
KCNK10 P57789 1/20 0.36
JAK2 O60674 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
KLK7 P49862 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL19435824 0.88 NPC1 (0.38) MAPK1ARMAPTLMNAMEN1
SCHEMBL8648660 0.88 NPC1 (0.42) MAPK1ARMAPTLMNAMEN1
SCHEMBL20749950 0.88 MAPK1 (0.50) MAPK1MAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL17351215 0.88 MAPT (0.36) MAPK1ARMAPTLMNAMEN1
SCHEMBL27481406 0.86 MAPK1 (0.38) MAPK1ARMAPTLMNAMEN1
SCHEMBL15072456 0.80 NPC1 (0.47) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1270430 0.80 PDK1 (0.48) MAPTMEN1KMT2AALDH1A1
SCHEMBL6555297 0.79 NPC1 (0.56) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL8134750 0.79 AR (0.51) ARMAPTMEN1KMT2AL3MBTL1
SCHEMBL31602906 0.79 NPC1 (0.56) MAPTLMNAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517524-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-26 EP disclosed
EP-3517524-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-26 EP disclosed
CN-106536481-B The composition of Parasiticidal comprising indole derivatives, its usage and purposes 勃林格殷格翰动物保健美国公司 2019-11-22 CN disclosed
EP-3517524-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF Merial Inc. (US) 2019-07-31 EP disclosed
US-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2019-04-09 US disclosed
EP-3157912-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2019-02-20 EP disclosed
EP-3157912-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2019-02-20 EP disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 US disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 US disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 US disclosed
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-5843972-A Heterocyclic β-adrenergic agonists PFIZER INC. (US) 1998-12-01 US disclosed
EP-0801060-A1 Heterocyclic Beta-3 Adrenergenic Agonists PFIZER INC. (US) 1997-10-15 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 (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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MAPK1 169/4885AR 4505/4885MAPT 2008/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MAPK1 169/4885AR 4505/4885MAPT 2008/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MAPK1 169/4885AR 4505/4885MAPT 2008/4885
US-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof IDO1, IDO2, MMP1 MAPK1 4399/4885AR 3118/4885MAPT 3434/4885
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF IDO1, IDO2, MMP1 MAPK1 4399/4885AR 3118/4885MAPT 3434/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MAPK1 169/4885AR 4505/4885MAPT 2008/4885

“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.