SCHEMBL2820888

SCHEMBL2820888

COc1cc(N2CCN(C)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.86
▸ INSR P06213 3/20 0.86
▸ ROS1 P08922 3/20 0.86
▸ BMPR1B O00238 2/20 0.86
▸ PLK4 O00444 2/20 0.86
▸ GAK O14976 2/20 0.86
▸ ERN1 O75460 2/20 0.86
▸ STK10 O94804 2/20 0.86
▸ ABL1 P00519 2/20 0.86
▸ EGFR P00533 2/20 0.86
▸ LCK P06239 2/20 0.86
▸ FYN P06241 2/20 0.86
▸ FES P07332 2/20 0.86
▸ YES1 P07947 2/20 0.86
▸ IGF1R P08069 2/20 0.86
▸ HCK P08631 2/20 0.86
▸ FER P16591 2/20 0.86
▸ EPHA2 P29317 2/20 0.86
▸ LTK P29376 2/20 0.86
▸ FLT3 P36888 2/20 0.86

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
SCHEMBL14866437 0.97 ALK (0.81) ALKINSRROS1BMPR1BPLK4
SCHEMBL14866311 0.94 ALK (0.84) ALKINSRROS1BMPR1BPLK4
Hydrochloric Acid SCHEMBL2829175 0.93 ALK (0.82) ALKINSRROS1BMPR1BPLK4
Asp-3026 SCHEMBL2827739 0.93 ALK (1.00) ALKINSRROS1BMPR1BPLK4
SCHEMBL14866379 0.93 ALK (0.94) ALKINSRROS1BMPR1BPLK4
Asp-3026 SCHEMBL29354559 0.93 ALK (1.00) ALKINSRROS1BMPR1BPLK4
Asp-3026 SCHEMBL30090555 0.93 ALK (1.00) ALKINSRROS1BMPR1BPLK4
Asp-3026 SCHEMBL31142530 0.93 ALK (1.00) ALKINSRROS1BMPR1BPLK4
SCHEMBL14866276 0.92 ALK (0.81) ALKINSRROS1BMPR1BPLK4
SCHEMBL2824222 0.92 ALK (0.87) ALKINSRROS1BMPR1BPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 — — US claimed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 — — EP claimed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 — — US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 — — US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 — — US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 — — US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 — — EP 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALK 3/4885INSR 607/4885ROS1 46/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALK 3/4885INSR 607/4885ROS1 46/4885

“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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