SCHEMBL2035845

SCHEMBL2035845

CNC(=O)c1ccccc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.60
PTK2 Q05397 7/20 0.55
MAPK9 P45984 6/20 0.55
MAPK10 P53779 6/20 0.55
LRRK2 Q5S007 2/20 0.52
CDC7 O00311 1/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
HIPK2 Q9H2X6 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
MAPK3 P27361 1/20 0.49
JAK2 O60674 1/20 0.48
NTRK1 P04629 1/20 0.48
TYK2 P29597 1/20 0.48
KDR P35968 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL25692395 0.81 CDC7 (0.61) ULK1PTK2MAPK9MAPK10LRRK2
SCHEMBL2029526 0.81 PTK2 (0.58) ULK1PTK2MAPK9MAPK10CDC7
SCHEMBL21258417 0.81 CDC7 (0.58) ULK1PTK2MAPK9MAPK10LRRK2
SCHEMBL30692349 0.80 MAPK10 (0.64) PTK2MAPK9MAPK10
SCHEMBL1231671 0.80 MAPK10 (0.64) PTK2MAPK9MAPK10
SCHEMBL17544940 0.79 ULK1 (0.76) ULK1PTK2MAPK9MAPK10LRRK2
SCHEMBL5566681 0.79 LRRK2 (0.56) ULK1PTK2LRRK2CDK9MAPK3
SCHEMBL1627996 0.79 PTK2 (0.70) PTK2JAK2NTRK1TYK2KDR
SCHEMBL25692495 0.78 PTK2 (0.68) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL2594649 0.78 ULK1 (0.67) ULK1PTK2MAPK9MAPK10LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
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
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 (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 ULK1 965/4885PTK2 2/4885MAPK9 548/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS ULK1 965/4885PTK2 2/4885MAPK9 548/4885

“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.