SCHEMBL16998993

SCHEMBL16998993

COc1cc(N2CCN(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccc(P(C)(C)=O)cc2OC)c2cc[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 8/20 0.65
▸ IGF1R P08069 9/20 0.62
▸ ALK Q9UM73 1/20 0.59
▸ EGFR P00533 1/20 0.57
▸ JAK3 P52333 1/20 0.56

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
SCHEMBL15219339 0.91 ALK (0.71) PTK2IGF1RALKEGFR
SCHEMBL16998990 0.91 PTK2 (0.80) PTK2IGF1RALKEGFR
SCHEMBL11919325 0.88 PTK2 (0.84) PTK2IGF1RALKEGFR
SCHEMBL16998986 0.82 PTK2 (0.69) PTK2IGF1RALKEGFR
SCHEMBL11919345 0.82 PTK2 (0.77) PTK2IGF1RALKEGFR
SCHEMBL17410930 0.81 PTK2 (0.78) PTK2IGF1RALKEGFR
SCHEMBL15219359 0.81 IGF1R (0.84) PTK2IGF1RALK
SCHEMBL11919218 0.80 PTK2 (0.81) PTK2IGF1RALKEGFR
SCHEMBL11916525 0.80 PTK2 (0.72) PTK2IGF1RALKEGFR
SCHEMBL29710747 0.79 ALK (0.64) PTK2IGF1RALKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 — — 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-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 PTK2 75/4885IGF1R 586/4885ALK 265/4885

“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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