SCHEMBL4817877

SCHEMBL4817877

O=Cc1ccc2c(c1)-c1[nH]ncc1C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 3/20 0.60
AURKB Q96GD4 2/20 0.60
KDR P35968 2/20 0.60
CHEK2 O96017 2/20 0.60
MARK3 P27448 2/20 0.60
ROS1 P08922 1/20 0.60
FLT4 P35916 1/20 0.60
MINK1 Q8N4C8 1/20 0.60
PBK Q96KB5 1/20 0.60
STK17A Q9UEE5 1/20 0.60
MAP4K5 Q9Y4K4 1/20 0.60
PIM1 P11309 3/20 0.54
PLK4 O00444 2/20 0.54
DAPK3 O43293 2/20 0.54
PDGFRA P16234 2/20 0.54
MAP2K2 P36507 2/20 0.54
FLT3 P36888 2/20 0.54
MAPK8 P45983 2/20 0.54
MAPK9 P45984 2/20 0.54
CSNK1A1 P48729 2/20 0.54

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
SCHEMBL4807713 0.91 LTK (0.54) LTKAURKBKDRCHEK2MARK3
SCHEMBL4815206 0.76 LTK (1.00) LTKAURKBKDRCHEK2MARK3
SCHEMBL4809739 0.73 LMNA (0.48) LTKAURKBKDRCHEK2MARK3
SCHEMBL9797806 0.72 KCNJ1 (0.42) KCNJ1KMT2AMAPT
SCHEMBL4811188 0.72 LTK (0.60) LTKAURKBKDRCHEK2MARK3
SCHEMBL4814005 0.72 KCNJ1 (0.36) KDRKCNJ1CHEK1CDK1CDK2
SCHEMBL2920391 0.71 LTK (1.00) LTKAURKBKDRCHEK2MARK3
SCHEMBL31689734 0.69 ALDH1A1 (0.43) KCNJ1KMT2AMAPT
SCHEMBL6014179 0.69 ALDH1A1 (0.43) KCNJ1KMT2AMAPT
SCHEMBL6937611 0.69 MAPT (0.48) KCNJ1MAPK1KMT2AMAPT

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 LTK 113/4885AURKB 87/4885KDR 666/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 LTK 265/4885AURKB 204/4885KDR 1024/4885

“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.