SCHEMBL12246331

SCHEMBL12246331

Cc1cc(Nc2nc(Nc3ccccc3SC(C)C)c3cc[nH]c3n2)c(OC(C)C)cc1C1CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.62
▸ INSR P06213 14/20 0.62
▸ NPM1 P06748 12/20 0.62
▸ KCNH2 Q12809 4/20 0.62
▸ CYP3A4 P08684 3/20 0.62
▸ PTK2 Q05397 2/20 0.45
▸ MAP4K1 Q92918 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ BUB1B O60566 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FES P07332 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ RET P07949 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ ABCB1 P08183 1/20 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
SCHEMBL12436064 0.89 ALK (0.62) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12245802 0.87 ALK (0.63) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12245783 0.87 ALK (0.58) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL1545515 0.86 ALK (0.84) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12245733 0.85 ALK (0.56) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12246332 0.84 ALK (0.58) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12245803 0.84 ALK (0.57) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12246328 0.83 ALK (0.63) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12434589 0.83 ALK (0.63) ALKINSRNPM1KCNH2CYP3A4
SCHEMBL12245784 0.83 ALK (0.62) ALKINSRNPM1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377921-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-19 — — US disclosed
US-8372858-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-12 — — US disclosed
US-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-01-03 — — US disclosed
US-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-20 — — US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 — — 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 (3 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-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885NPM1 2242/4885
US-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885NPM1 2242/4885
US-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885NPM1 2242/4885

“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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