SCHEMBL16998995

SCHEMBL16998995

CC(C)Oc1cc(N2CCN(C3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2P(C)(C)=O)c2cc[nH]c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.71
▸ IGF1R P08069 12/20 0.71
▸ INSR P06213 11/20 0.71
▸ PTK2 Q05397 6/20 0.68
▸ CHEK1 O14757 1/20 0.61
▸ AURKA O14965 1/20 0.61
▸ NUAK1 O60285 1/20 0.61
▸ JAK2 O60674 1/20 0.61
▸ STK10 O94804 1/20 0.61
▸ PRKD3 O94806 1/20 0.61
▸ SLC34A2 O95436 1/20 0.61
▸ CHEK2 O96017 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ EGFR P00533 1/20 0.61
▸ CD74 P04233 1/20 0.61
▸ ERBB2 P04626 1/20 0.61
▸ LCK P06239 1/20 0.61
▸ FYN P06241 1/20 0.61
▸ FES P07332 1/20 0.61
▸ CSF1R P07333 1/20 0.61

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
SCHEMBL11919316 0.97 ALK (0.75) ALKIGF1RINSRPTK2CHEK1
SCHEMBL11916525 0.94 PTK2 (0.72) ALKIGF1RINSRPTK2CHEK1
SCHEMBL11919345 0.91 PTK2 (0.77) ALKIGF1RINSRPTK2CHEK1
SCHEMBL11919174 0.88 ALK (0.76) ALKIGF1RINSRPTK2CHEK1
SCHEMBL11919325 0.87 PTK2 (0.84) ALKIGF1RINSRPTK2CHEK1
SCHEMBL11919333 0.86 PTK2 (0.79) ALKIGF1RINSRPTK2CHEK1
SCHEMBL16998990 0.85 PTK2 (0.80) ALKIGF1RINSRPTK2CHEK1
SCHEMBL11919220 0.85 PTK2 (0.60) ALKIGF1RINSRPTK2
SCHEMBL11918997 0.84 IGF1R (0.82) ALKIGF1RINSRPTK2
SCHEMBL11919113 0.83 ALK (0.88) ALKIGF1RINSRPTK2CHEK1

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 ALK 265/4885IGF1R 586/4885INSR 985/4885

“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