SCHEMBL13380482

SCHEMBL13380482

CNC(=O)c1ccccc1Nc1nc(Cl)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.54
▸ PIM1 P11309 4/20 0.51
▸ FLT3 P36888 4/20 0.51
▸ PIM2 Q9P1W9 4/20 0.51
▸ BAD Q92934 3/20 0.51
▸ PIM3 Q86V86 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ PTK2 Q05397 6/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PLK1 P53350 1/20 0.47
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ PLK4 O00444 1/20 0.45
▸ PDE5A O76074 2/20 0.45
▸ APP P05067 1/20 0.45

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
SCHEMBL375355 0.79 ULK1 (0.74) ULK1PTK2CDK7CDK9
SCHEMBL1203252 0.78 ULK1 (0.59) ULK1PTK2CDK7CDK9
SCHEMBL13395038 0.77 ULK1 (0.61) ULK1PTK2KMT2APLK1CDK7
SCHEMBL9776701 0.77 SLC2A1 (0.59) PDE5AAPP
SCHEMBL28533410 0.77 PDE5A (0.46) PTK2MEN1KMT2ACDK7CDK9
SCHEMBL375665 0.77 ULK1 (0.58) ULK1PIM1PTK2CDK7CDK9
SCHEMBL12627646 0.77 ULK1 (0.58) ULK1PIM1FLT3PIM2BAD
SCHEMBL30086235 0.77 ULK1 (0.58) ULK1PIM1FLT3PIM2BAD
SCHEMBL29900878 0.77 ULK1 (0.58) ULK1PIM1PTK2CDK7CDK9
SCHEMBL1203432 0.77 ULK1 (0.58) ULK1PIM1FLT3PIM2BAD

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 6 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
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 ULK1 3381/4885PIM1 243/4885FLT3 8/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ULK1 3381/4885PIM1 243/4885FLT3 8/4885

“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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