SCHEMBL29316154

SCHEMBL29316154

COc1cc(N2CCN(C(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.81
▸ ZAP70 P43403 4/20 0.79
▸ ROS1 P08922 5/20 0.75
▸ INSR P06213 3/20 0.75
▸ IGF1R P08069 3/20 0.75
▸ FGFR1 P11362 3/20 0.75
▸ FGFR2 P21802 3/20 0.75
▸ FGFR4 P22455 3/20 0.75
▸ FGFR3 P22607 3/20 0.75
▸ EGFR P00533 2/20 0.75
▸ MET P08581 2/20 0.75
▸ CDK4 P11802 2/20 0.75
▸ BMPR1B O00238 1/20 0.75
▸ PLK4 O00444 1/20 0.75
▸ STK25 O00506 1/20 0.75
▸ RIOK3 O14730 1/20 0.75
▸ CHEK1 O14757 1/20 0.75
▸ CASK O14936 1/20 0.75
▸ AURKA O14965 1/20 0.75
▸ GAK O14976 1/20 0.75

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
SCHEMBL24301100 0.94 ALK (0.87) ALKZAP70ROS1INSRIGF1R
SCHEMBL18843559 0.92 ALK (0.87) ALKZAP70ROS1INSRIGF1R
SCHEMBL13394910 0.90 ALK (0.84) ALKZAP70ROS1INSRIGF1R
SCHEMBL21815096 0.89 ALK (0.79) ALKZAP70ROS1INSRIGF1R
SCHEMBL11916458 0.88 ALK (0.80) ALKZAP70ROS1INSRIGF1R
SCHEMBL30165141 0.88 ALK (0.76) ALKZAP70ROS1INSRIGF1R
SCHEMBL21844685 0.88 ALK (0.76) ALKZAP70ROS1INSRIGF1R
SCHEMBL20805541 0.88 ZAP70 (0.80) ALKZAP70ROS1INSRIGF1R
SCHEMBL18843489 0.88 ZAP70 (0.82) ALKZAP70ROS1INSRIGF1R
Tae-684 SCHEMBL282775 0.86 ALK (1.00) ALKZAP70ROS1INSRIGF1R

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-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-07-18 — — 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-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER BRIX1, TP53, XPOT ALK 3935/4885ZAP70 3276/4885ROS1 1728/4885

“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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