SCHEMBL2034472

SCHEMBL2034472

CCC(CC)(c1ccc(Nc2ncc(C(F)(F)F)c(Nc3nccc4c3C(=O)N(C)C4)n2)cc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 11/20 0.44
▸ KIT P10721 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ AURKA O14965 1/20 0.41
▸ LRRK2 Q5S007 3/20 0.40
▸ EGFR P00533 2/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ WEE1 P30291 1/20 0.39
▸ ALK Q9UM73 1/20 0.39

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
SCHEMBL2637361 0.86 KIT (0.45) PTK2KITFLT3AURKALRRK2
SCHEMBL2037924 0.86 KIT (0.42) PTK2KITFLT3AURKALRRK2
SCHEMBL2029806 0.82 LRRK2 (0.43) PTK2KITFLT3AURKALRRK2
SCHEMBL2034467 0.82 PTK2 (0.44) PTK2KITFLT3LRRK2
SCHEMBL2029269 0.81 PTK2 (0.48) PTK2LRRK2ALK
SCHEMBL2028827 0.81 LRRK2 (0.42) PTK2KITFLT3AURKALRRK2
SCHEMBL2032365 0.81 LRRK2 (0.43) PTK2LRRK2ALK
SCHEMBL2035270 0.81 EGFR (0.44) PTK2FLT3LRRK2EGFRFGFR1
SCHEMBL2035832 0.81 PTK2 (0.44) PTK2KITFLT3LRRK2EGFR
SCHEMBL2034806 0.80 PTK2 (0.43) PTK2KITFLT3LRRK2EGFR

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 2/4885KIT 1208/4885FLT3 27/4885

“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.

Send feedback