SCHEMBL2030368

SCHEMBL2030368

CCC(CC)(c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(=O)NC)n2)cc1)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 18/20 0.61
▸ KDR P35968 3/20 0.59
▸ JAK2 O60674 2/20 0.59
▸ NTRK1 P04629 2/20 0.59
▸ TYK2 P29597 2/20 0.59
▸ JAK3 P52333 2/20 0.59
▸ PTK2B Q14289 2/20 0.59
▸ NTRK3 Q16288 2/20 0.59
▸ NTRK2 Q16620 2/20 0.59
▸ CDC7 O00311 1/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ PRKACA P17612 1/20 0.57
▸ CDK7 P50613 1/20 0.57
▸ CDK9 P50750 1/20 0.57
▸ HIPK2 Q9H2X6 1/20 0.57
▸ IRAK4 Q9NWZ3 1/20 0.57
▸ AURKB Q96GD4 1/20 0.51

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
SCHEMBL2034319 0.92 CDC7 (0.56) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2637056 0.90 PTK2 (0.66) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2030967 0.90 PTK2 (0.61) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2051346 0.90 CDC7 (0.55) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2636840 0.89 PTK2 (0.64) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2027611 0.88 PTK2 (0.58) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2036906 0.88 PTK2 (0.54) PTK2KDRJAK2NTRK1TYK2
SCHEMBL2029937 0.88 PTK2 (0.66) PTK2PTK2B
SCHEMBL2035656 0.88 MAPK8 (0.56) PTK2JAK2JAK3PTK2BCDC7
SCHEMBL2033552 0.88 PTK2 (0.57) PTK2KDRJAK2NTRK1TYK2

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 2/4885KDR 596/4885JAK2 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.

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