SCHEMBL13395658

SCHEMBL13395658

CNS(=O)(=O)c1ccccc1Nc1ncnc(Nc2ccc(N3CCC4(CC3)OCCO4)cc2OC)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.63
▸ ALK Q9UM73 6/20 0.59
▸ PTK2 Q05397 3/20 0.56
▸ EGFR P00533 3/20 0.55
▸ IGF1R P08069 3/20 0.55
▸ PLK4 O00444 2/20 0.55
▸ LCK P06239 2/20 0.55
▸ FYN P06241 2/20 0.55
▸ EPHA2 P29317 2/20 0.55
▸ FLT3 P36888 2/20 0.55
▸ LIMK1 P53667 2/20 0.55
▸ PTK6 Q13882 2/20 0.55
▸ PTK2B Q14289 2/20 0.55
▸ AURKB Q96GD4 2/20 0.55
▸ PRKD2 Q9BZL6 2/20 0.55
▸ SLK Q9H2G2 2/20 0.55
▸ CAMKK2 Q96RR4 2/20 0.55
▸ INSR P06213 2/20 0.55
▸ BMPR1B O00238 1/20 0.55
▸ GAK O14976 1/20 0.55

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
SCHEMBL14866368 0.89 ALK (0.75) ULK1ALKPTK2EGFRIGF1R
SCHEMBL13395660 0.87 ALK (0.56) ULK1ALKPTK2EGFRIGF1R
SCHEMBL2822748 0.81 ALK (0.81) ULK1ALKPTK2EGFRIGF1R
SCHEMBL12892783 0.79 ULK1 (0.73) ULK1ALKPTK2EGFRIGF1R
SCHEMBL14866619 0.78 ALK (0.70) ULK1ALKPTK2EGFRIGF1R
SCHEMBL12780145 0.78 ZAP70 (0.85) ULK1ALKPTK2EGFRIGF1R
SCHEMBL29900883 0.77 ULK1 (1.00) ULK1ALKPTK2EGFRIGF1R
SCHEMBL375608 0.77 ULK1 (1.00) ULK1ALKPTK2EGFRIGF1R
SCHEMBL12892894 0.77 ULK1 (0.83) ULK1ALKPTK2EGFRIGF1R
SCHEMBL2824078 0.77 ALK (0.75) ULK1ALKPTK2EGFRIGF1R

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-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-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
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 — — 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ULK1 3381/4885ALK 3/4885PTK2 375/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ULK1 3381/4885ALK 3/4885PTK2 375/4885

“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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