SCHEMBL21709591

SCHEMBL21709591

CCPc1ccc(Nc2nc(Nc3ncc(C4CC4)o3)ncc2Cl)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.51
▸ INSR P06213 4/20 0.51
▸ LRRK2 Q5S007 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ TNK2 Q07912 1/20 0.44
▸ IGF1R P08069 3/20 0.44

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
SCHEMBL21709590 0.86 ALK (0.42) ALKINSRIGF1R
SCHEMBL19288567 0.84 ALK (0.49) ALKINSRLRRK2IGF1R
SCHEMBL11916339 0.83 ALK (0.55) ALKINSRLRRK2IGF1R
SCHEMBL17527347 0.80 ALK (0.47) ALKINSRLRRK2
SCHEMBL11900440 0.80 ALK (0.47) ALKINSR
SCHEMBL17527454 0.76 ALK (0.59) ALKINSRLRRK2JAK2SRC
SCHEMBL11901898 0.76 ALK (0.59) ALKINSRLRRK2JAK2SRC
SCHEMBL11901894 0.76 ALK (0.59) ALKINSRLRRK2JAK2SRC
SCHEMBL11900492 0.68 ALK (0.54) ALKINSRLRRK2IGF1R
SCHEMBL11916333 0.67 ALK (0.60) ALKINSRLRRK2IGF1R

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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 — — 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 (2 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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885INSR 941/4885LRRK2 652/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885INSR 941/4885LRRK2 652/4885

“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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