SCHEMBL992895

SCHEMBL992895

Clc1cc(I)cc(NCc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
DAPK3 O43293 2/20 0.52
JAK2 O60674 2/20 0.52
PAK4 O96013 2/20 0.52
ABL1 P00519 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
CSF1R P07333 2/20 0.52
RET P07949 2/20 0.52
FGFR1 P11362 2/20 0.52
FLT1 P17948 2/20 0.52
KDR P35968 2/20 0.52
FLT3 P36888 2/20 0.52
MAPK9 P45984 2/20 0.52
GSK3B P49841 2/20 0.52
CDK7 P50613 2/20 0.52
CDK9 P50750 2/20 0.52
JAK3 P52333 2/20 0.52
CDK5 Q00535 2/20 0.52
PRKAA1 Q13131 2/20 0.52

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
SCHEMBL29880059 0.82 CLK4 (0.50) PTGS2CDK2CLK2DYRK1ALMNA
SCHEMBL20637881 0.82 CLK4 (0.50) PTGS2CDK2CLK2DYRK1ALMNA
SCHEMBL14842053 0.81 NOS2 (0.58) PTGS2DAPK3JAK2PAK4ABL1
SCHEMBL16039107 0.81 LMNA (0.62) PTGS2DAPK3JAK2PAK4ABL1
SCHEMBL7284762 0.81 SMN1; SMN2 (0.55) PTGS2DAPK3JAK2PAK4ABL1
SCHEMBL9884921 0.80 DAPK3 (0.56) PTGS2DAPK3JAK2PAK4ABL1
SCHEMBL1319082 0.77 SMN1; SMN2 (0.68) PTGS2DAPK3JAK2PAK4ABL1
SCHEMBL443320 0.77 HCAR2 (0.55) PTGS2DAPK3JAK2PAK4ABL1
SCHEMBL23751303 0.76 FABP1 (0.55) DAPK3JAK2PAK4ABL1LCK
SCHEMBL2805145 0.75 KCNH3 (0.55) DAPK3JAK2PAK4ABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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 (1 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 PTGS2 3751/4885DAPK3 350/4885JAK2 353/4885

“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.