SCHEMBL4041620

SCHEMBL4041620

CC(C)c1cc(Nc2nc(Cl)ncc2Cl)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.46
JAK2 O60674 3/20 0.46
FGFR1 P11362 3/20 0.46
JAK3 P52333 3/20 0.46
PAK4 O96013 3/20 0.46
AURKA O14965 2/20 0.46
PLK4 O00444 2/20 0.46
STK10 O94804 1/20 0.46
RET P07949 1/20 0.46
FER P16591 1/20 0.46
CSNK2A2 P19784 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
FLT3 P36888 1/20 0.46
STAT3 P40763 1/20 0.46
STAT5A P42229 1/20 0.46
CDK3 Q00526 1/20 0.46
PTK2 Q05397 1/20 0.46
TNK2 Q07912 1/20 0.46
STK4 Q13043 1/20 0.46

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
SCHEMBL4033781 0.86 IGF1R (0.57) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL218642 0.81 MEN1 (0.62) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL220024 0.80 JAK2 (0.47) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL2120951 0.78 NTRK1 (0.58) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL217676 0.78 JAK2 (0.42) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL3337463 0.78 MEN1 (0.42) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL3341156 0.78 IGF1R (0.43) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL1770945 0.78 FGFR1 (0.46) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL4065430 0.76 JAK2 (0.44) NTRK1JAK2FGFR1JAK3PAK4
SCHEMBL14723067 0.76 IGF1R (0.54) NTRK1FGFR1PAK4AURKAIGF1R

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
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP 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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 NTRK1 4610/4885JAK2 727/4885FGFR1 1251/4885

“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.