SCHEMBL12388987

SCHEMBL12388987

C=S(=O)(c1ccccc1Nc1nc(Nc2ccc(C3CCN(CCO)CC3)cc2OC(C)C)nc2[nH]cnc12)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.56
▸ INSR P06213 7/20 0.54
▸ KCNH2 Q12809 3/20 0.53
▸ EGFR P00533 2/20 0.51
▸ ROS1 P08922 1/20 0.46
▸ NPM1 P06748 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL1546353 0.94 ALK (0.64) ALKINSRKCNH2EGFRROS1
SCHEMBL12388986 0.92 ALK (0.53) ALKINSRKCNH2EGFRNPM1
SCHEMBL1545735 0.85 ALK (0.61) ALKINSRKCNH2EGFRNPM1
SCHEMBL14478183 0.82 ALK (0.67) ALKINSRKCNH2NPM1CYP3A4
SCHEMBL12388978 0.81 ALK (0.69) ALKINSRKCNH2EGFRNPM1
SCHEMBL1546296 0.80 ALK (0.82) ALKINSRKCNH2EGFRROS1
SCHEMBL12388962 0.80 ALK (0.69) ALKINSRKCNH2NPM1CYP3A4
SCHEMBL12388945 0.78 ALK (0.75) ALKINSRKCNH2NPM1CYP3A4
SCHEMBL18018797 0.76 ALK (0.56) ALKINSRKCNH2EGFRROS1
SCHEMBL22985915 0.76 ALK (0.54) ALKINSRKCNH2EGFRROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 — — US disclosed
US-8372858-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-12 — — 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 (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-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885KCNH2 2126/4885
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALK 23/4885INSR 67/4885KCNH2 2126/4885

“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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