SCHEMBL2823904

SCHEMBL2823904

COc1cc(N2CCC(N3CCCC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.88
INSR P06213 4/20 0.88
EGFR P00533 3/20 0.88
IGF1R P08069 3/20 0.88
FES P07332 3/20 0.88
FLT3 P36888 3/20 0.88
BMPR1B O00238 2/20 0.88
PLK4 O00444 2/20 0.88
GAK O14976 2/20 0.88
ERN1 O75460 2/20 0.88
STK10 O94804 2/20 0.88
ABL1 P00519 2/20 0.88
LCK P06239 2/20 0.88
FYN P06241 2/20 0.88
YES1 P07947 2/20 0.88
HCK P08631 2/20 0.88
ROS1 P08922 2/20 0.88
FER P16591 2/20 0.88
EPHA2 P29317 2/20 0.88
LTK P29376 2/20 0.88

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
SCHEMBL14866618 0.98 ALK (0.85) ALKINSREGFRIGF1RFES
SCHEMBL14866411 0.98 ALK (0.88) ALKINSREGFRIGF1RFES
Asp-3026 SCHEMBL31142530 0.94 ALK (1.00) ALKINSREGFRIGF1RFES
Asp-3026 SCHEMBL29354559 0.94 ALK (1.00) ALKINSREGFRIGF1RFES
Asp-3026 SCHEMBL2827739 0.94 ALK (1.00) ALKINSREGFRIGF1RFES
Asp-3026 SCHEMBL30090555 0.94 ALK (1.00) ALKINSREGFRIGF1RFES
SCHEMBL14866656 0.93 ALK (0.88) ALKINSREGFRIGF1RFES
SCHEMBL21133479 0.93 ALK (0.86) ALKINSREGFRIGF1RFES
SCHEMBL21478092 0.93 ALK (0.87) ALKINSREGFRIGF1RFES
SCHEMBL14866446 0.93 ALK (0.87) ALKINSREGFRIGF1RFES

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 607/4885EGFR 2/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALK 3/4885INSR 607/4885EGFR 2/4885

“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.