SCHEMBL5453654

SCHEMBL5453654

COc1ccc(C2=NN(c3ccc4[nH]nc(-c5ccc(F)cc5)c4c3)CN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
MAPK1 P28482 1/20 0.42
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
LRRK2 Q5S007 5/20 0.39
CSNK1D P48730 1/20 0.39
MAPK13 O15264 1/20 0.39
ALOX5 P09917 1/20 0.39
GCGR P47871 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL4736181 0.78 NTRK1 (0.56) NTRK1MAPK1LRRK2MAPK13ALOX5
SCHEMBL5377153 0.72 MAPK14 (0.52) NTRK1MAPK1CSNK1DMAPK13ALOX5
SCHEMBL8253009 0.70 CSNK1D (0.49) NTRK1MAPK1CSNK1DMAPK13ALOX5
SCHEMBL8251865 0.69 MAP2K4 (0.68) MAPK1HTR2AHTR2CHTR2BPRKAG1
SCHEMBL4009086 0.68 AXL (0.55) MAPK1LRRK2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5390659 0.67 AXL (0.53) MAPK1LRRK2HTR2AHTR2CHTR2B
SCHEMBL5377845 0.66 AR (0.46) NTRK1MAPK1CSNK1DHTR2AMAP2K4
SCHEMBL5374591 0.66 MAP2K4 (0.71) NTRK1MAPK1CSNK1DITKMAP2K4
SCHEMBL27542244 0.65 TTK (0.46) NTRK1MAPK1LRRK2CSNK1DTTK
SCHEMBL5385898 0.65 LRRK2 (0.59) LRRK2HTR2AHTR2CHTR2BPRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 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-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT NTRK1 4786/4885MAPK1 2816/4885SRC 205/4885

“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.