SCHEMBL16998990

SCHEMBL16998990

COc1cc(N2CCN(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2P(C)(C)=O)c2cc[nH]c2n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.80
▸ MAP4K1 Q92918 1/20 0.68
▸ ALK Q9UM73 11/20 0.68
▸ IGF1R P08069 10/20 0.68
▸ INSR P06213 8/20 0.68
▸ EGFR P00533 2/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ NUAK1 O60285 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ SLC34A2 O95436 1/20 0.62
▸ CHEK2 O96017 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ CD74 P04233 1/20 0.62
▸ ERBB2 P04626 1/20 0.62
▸ LCK P06239 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ FES P07332 1/20 0.62

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
SCHEMBL11919325 0.98 PTK2 (0.84) PTK2MAP4K1ALKIGF1RINSR
SCHEMBL11919345 0.92 PTK2 (0.77) PTK2MAP4K1ALKIGF1RINSR
SCHEMBL16998986 0.92 PTK2 (0.69) PTK2MAP4K1ALKIGF1RINSR
SCHEMBL17410930 0.91 PTK2 (0.78) PTK2MAP4K1ALKIGF1RINSR
SCHEMBL16998993 0.91 PTK2 (0.65) PTK2ALKIGF1REGFR
SCHEMBL11919218 0.90 PTK2 (0.81) PTK2MAP4K1ALKIGF1RINSR
SCHEMBL11916525 0.90 PTK2 (0.72) PTK2MAP4K1ALKIGF1RINSR
SCHEMBL11918997 0.89 IGF1R (0.82) PTK2ALKIGF1RINSR
SCHEMBL11919322 0.89 PTK2 (0.83) PTK2MAP4K1ALKIGF1RINSR
SCHEMBL15222130 0.87 PTK2 (0.79) PTK2MAP4K1ALKIGF1RINSR

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 75/4885MAP4K1 21/4885ALK 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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