SCHEMBL4294083

SCHEMBL4294083

Brc1ccc2[nH]nc(N3CCOCC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
CDC7 O00311 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
JAK2 O60674 2/20 0.49
PDPK1 O15530 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DCLK1 O15075 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
CSF1R P07333 1/20 0.44
FER P16591 1/20 0.44

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
SCHEMBL9778433 0.84 HTT (0.56) MAPK1MAPTJAK2PDPK1DCLK1
SCHEMBL4289522 0.82 HTT (0.55) MAPK1CDC7JAK2PDPK1ALDH1A1
SCHEMBL761105 0.82 MAPK1 (0.54) MAPK1CDC7MAPTNPC1RAB9A
SCHEMBL17982403 0.82 MAPK1 (0.54) MAPK1CDC7NPC1RAB9AJAK2
Hydrochloric Acid SCHEMBL9778506 0.81 HTT (0.53) MAPK1CDC7JAK2PDPK1ALDH1A1
SCHEMBL23536581 0.78 LRRK2 (0.56) MAPK1CDC7MAPTHPGDSMN1; SMN2
SCHEMBL2466571 0.77 MAPK1 (0.52) MAPK1CDC7MAPTHPGDSMN1; SMN2
SCHEMBL16025480 0.77 LRRK2 (0.74) LRRK2
SCHEMBL28553359 0.77 LRRK2 (0.44) MAPK1MAPTNPC1HPGDRAB9A
SCHEMBL14338764 0.76 HSD17B10 (0.52) MAPK1MAPTJAK2PDPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPK1 40/4885CDC7 76/4885MAPT 3336/4885
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 MAPK1 199/4885CDC7 8/4885MAPT 1170/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 MAPK1 199/4885CDC7 8/4885MAPT 1170/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAPK1 40/4885CDC7 76/4885MAPT 3336/4885

“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.