SCHEMBL12499581

SCHEMBL12499581

CN1CCN(c2ccc(Br)cc2)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
BRD4 O60885 1/20 0.37
TLR7 Q9NYK1 2/20 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
SCHEMBL8340776 0.84 L3MBTL1 (0.56) SLC6A2SLC6A4L3MBTL1HRH3HPGD
SCHEMBL853431 0.84 MAPT (0.53) SLC6A2SLC6A4L3MBTL1HPGDALDH1A1
SCHEMBL15765651 0.82 SLC6A2 (0.49) SLC6A2SLC6A4L3MBTL1HRH3HPGD
SCHEMBL157609 0.82 SLC6A2 (0.56) SLC6A2SLC6A4L3MBTL1ALDH1A1CTSG
SCHEMBL12499505 0.82 SLC6A2 (0.49) SLC6A2SLC6A4L3MBTL1HPGDALDH1A1
SCHEMBL156594 0.81 NPC1 (0.55) SLC6A2SLC6A4L3MBTL1HPGDALDH1A1
SCHEMBL17538303 0.79 ALDH1A1 (0.57) SLC6A2SLC6A4L3MBTL1HPGDALDH1A1
SCHEMBL15672568 0.79 L3MBTL1 (0.50) SLC6A2SLC6A4L3MBTL1HPGDALDH1A1
SCHEMBL14570546 0.79 POLB (0.50) SLC6A2SLC6A4L3MBTL1CTSGCMA1
SCHEMBL22121727 0.79 SLC6A2 (0.45) SLC6A2SLC6A4L3MBTL1HPGDALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 US disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 US disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 US disclosed
US-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION 2016-09-29 US disclosed
US-9388185-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-07-12 US disclosed
US-9388185-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-07-12 US disclosed
US-9388185-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-07-12 US disclosed
US-20140045814-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2014-02-13 US disclosed
US-20140045814-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2014-02-13 US disclosed
US-20140045814-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2014-02-13 US disclosed
WO-2014026125-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2014-02-13 WO disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
WO-2012048411-A1 PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2012-04-19 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 (2 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-20160280713-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR2, FGFR3 SLC6A2 4844/4885SLC6A4 4760/4885L3MBTL1 4167/4885
US-20140045814-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR2, FGFR3 SLC6A2 4844/4885SLC6A4 4760/4885L3MBTL1 4167/4885

“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.