SCHEMBL4064443

SCHEMBL4064443

C[C@H](Nc1ncc(Cl)c(Nc2cc(OCC3CC3)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.68
AURKA O14965 3/20 0.52
JAK2 O60674 2/20 0.52
RET P07949 2/20 0.52
FGFR1 P11362 2/20 0.52
FLT3 P36888 2/20 0.52
JAK3 P52333 2/20 0.52
PTK2 Q05397 2/20 0.52
TNK2 Q07912 2/20 0.52
PLK4 O00444 1/20 0.52
STK10 O94804 1/20 0.52
PAK4 O96013 1/20 0.52
FER P16591 1/20 0.52
CSNK2A2 P19784 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
STAT3 P40763 1/20 0.52
STAT5A P42229 1/20 0.52
CDK3 Q00526 1/20 0.52
STK4 Q13043 1/20 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
SCHEMBL4068991 0.86 NTRK1 (0.73) NTRK1AURKAJAK2RETFGFR1
SCHEMBL23808896 0.86 NTRK1 (0.75) NTRK1AURKAJAK2RETFGFR1
SCHEMBL4160441 0.83 NTRK1 (0.82) NTRK1JAK2JAK3IGF1R
SCHEMBL4076083 0.81 NTRK1 (1.00) NTRK1AURKAJAK2RETFGFR1
SCHEMBL4068047 0.79 NTRK1 (0.85) NTRK1AURKAJAK2RETFGFR1
SCHEMBL3338899 0.77 IGF1R (0.42) NTRK1AURKAJAK2RETFGFR1
SCHEMBL4074195 0.77 NTRK1 (0.69) NTRK1AURKAJAK2RETFGFR1
SCHEMBL3338554 0.76 NTRK1 (0.55) NTRK1AURKAGRK6
SCHEMBL3034183 0.76 NTRK1 (0.71) NTRK1AURKAJAK2RETFGFR1
SCHEMBL588730 0.75 NTRK1 (0.73) NTRK1AURKAJAK2RETFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 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-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885AURKA 2423/4885JAK2 1971/4885

“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.