SCHEMBL2032989

SCHEMBL2032989

CN1Cc2c(Br)ccc(Nc3nc(Nc4ccc(CP(=O)(O)O)cc4)ncc3C(F)(F)F)c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
PTK2 Q05397 14/20 0.43
AURKA O14965 1/20 0.41
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
KDR P35968 2/20 0.40
FGFR1 P11362 2/20 0.40
JAK2 O60674 1/20 0.40
NTRK1 P04629 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2B Q14289 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
AURKB Q96GD4 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
SCHEMBL15226723 0.95 LRRK2 (0.44) LRRK2PTK2AURKAKITFLT3
SCHEMBL2029803 0.89 LRRK2 (0.44) LRRK2PTK2KITFLT3KDR
SCHEMBL2637440 0.89 LRRK2 (0.43) LRRK2PTK2AURKAKITFLT3
SCHEMBL2636859 0.89 LRRK2 (0.49) LRRK2PTK2KDRJAK2NTRK1
SCHEMBL2034966 0.89 FGFR1 (0.42) LRRK2PTK2AURKAKITFLT3
SCHEMBL2034962 0.89 LRRK2 (0.43) LRRK2PTK2KITFLT3KDR
SCHEMBL2637349 0.89 LRRK2 (0.45) LRRK2PTK2AURKAKITFLT3
SCHEMBL2032920 0.88 PTK2 (0.51) LRRK2PTK2
SCHEMBL2637489 0.88 PTK2 (0.45) LRRK2PTK2AURKAKITFLT3
SCHEMBL2637024 0.87 LRRK2 (0.45) LRRK2PTK2KDRJAK2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO 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 (2 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS LRRK2 854/4885PTK2 2/4885AURKA 186/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS LRRK2 854/4885PTK2 2/4885AURKA 186/4885

“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.