SCHEMBL2032402

SCHEMBL2032402

CCP(=O)(O)CCc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 15/20 0.47
AURKA O14965 1/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
TYK2 P29597 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2B Q14289 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
FGFR1 P11362 2/20 0.41
STK17A Q9UEE5 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL2035703 0.94 PTK2 (0.46) PTK2AURKAJAK2NTRK1TYK2
SCHEMBL2637155 0.89 PTK2 (0.48) PTK2AURKAJAK2NTRK1TYK2
SCHEMBL2034443 0.83 LRRK2 (0.49) PTK2
SCHEMBL2637209 0.83 PTK2 (0.52) PTK2AURKAJAK2NTRK1TYK2
SCHEMBL2035699 0.82 PTK2 (0.46) PTK2AURKAJAK2NTRK1TYK2
SCHEMBL2637214 0.82 PTK2 (0.49) PTK2AURKAJAK2NTRK1TYK2
SCHEMBL1917462 0.79 FFAR1 (0.52) PTK2AURKAJAK2NTRK1TYK2
SCHEMBL2031831 0.79 PTK2 (0.47) PTK2AURKAJAK2NTRK1TYK2
SCHEMBL2035700 0.78 PTK2 (0.44) PTK2JAK2NTRK1TYK2KDR
SCHEMBL2637211 0.78 PTK2 (0.46) PTK2AURKAJAK2NTRK1TYK2

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-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PTK2 2/4885AURKA 186/4885JAK2 15/4885

“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.