SCHEMBL18338692

SCHEMBL18338692

COc1cc(N2CC[PH](C)(O)CC2)ccc1N(c1nnc(Cl)c(N)n1)c1ccccc1S(=O)(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.38
▸ ZAP70 P43403 2/20 0.38
▸ TTK P33981 5/20 0.36
▸ ROS1 P08922 4/20 0.36
▸ GAK O14976 3/20 0.36
▸ INSR P06213 3/20 0.36
▸ IGF1R P08069 3/20 0.36
▸ LTK P29376 3/20 0.36
▸ PTK2 Q05397 3/20 0.36
▸ TNK2 Q07912 3/20 0.36
▸ TNK1 Q13470 3/20 0.36
▸ PTK2B Q14289 3/20 0.36
▸ EGFR P00533 3/20 0.36
▸ INSRR P14616 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CLK1 P49759 2/20 0.36
▸ FES P07332 3/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ BMPR1B O00238 2/20 0.36
▸ PLK4 O00444 2/20 0.36

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
SCHEMBL18338691 0.87 ALK (0.39) ALKZAP70TTKROS1GAK
SCHEMBL22494176 0.77 ALK (0.37) ALKINSRIGF1REGFR
SCHEMBL15207525 0.77 ALK (0.37) ALKROS1INSREGFRMET
SCHEMBL21715308 0.73 ALK (0.60) ALKZAP70TTKROS1GAK
SCHEMBL11900490 0.72 ALK (0.63) ALKZAP70TTKROS1GAK
SCHEMBL11901912 0.69 ALK (0.46) ALKZAP70TTKROS1GAK
SCHEMBL14857729 0.69 ALK (0.61) ALKZAP70TTKROS1GAK
SCHEMBL1493628 0.67 ALK (0.68) ALKZAP70TTKROS1GAK
SCHEMBL17527398 0.66 ALK (0.54) ALKZAP70TTKROS1GAK
SCHEMBL11901307 0.64 ALK (0.52) ALKZAP70TTKROS1GAK

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-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 — — 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-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ALK 265/4885ZAP70 525/4885TTK 398/4885

“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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