SCHEMBL11900623

SCHEMBL11900623

COc1cc(N2CCP(C)(=O)CC2)ccc1N(c1ncc(Cl)c(N)n1)c1ncc(C(C)C)o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.34
▸ INSR P06213 1/20 0.34
▸ CCR1 P32246 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL11900624 0.86 ALK (0.35) ALKINSRCCR1LRRK2
SCHEMBL11916333 0.70 ALK (0.60) ALKINSRLRRK2
SCHEMBL18338691 0.69 ALK (0.39) ALKINSRLRRK2
SCHEMBL21715308 0.66 ALK (0.60) ALKINSRLRRK2
SCHEMBL1376839 0.64 ZAP70 (0.47) ALKINSRLRRK2
SCHEMBL1493716 0.64 ALDH1A1 (0.44) —
SCHEMBL1493535 0.64 ALK (0.60) ALKINSRLRRK2
SCHEMBL19288667 0.64 ALK (0.37) ALKINSRLRRK2
SCHEMBL29015781 0.62 ALK (0.47) ALKINSRLRRK2
SCHEMBL29015712 0.62 EGFR (0.49) ALKINSRLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALK 370/4885INSR 751/4885CCR1 4845/4885

“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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