SCHEMBL4187524

SCHEMBL4187524

CC(C)c1ccc(NC(=O)NC2CCN(c3ncnc4sccc34)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
PAK1 Q13153 5/20 0.48
EPHX2 P34913 3/20 0.48
STAT3 P40763 4/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KIT P10721 1/20 0.47
NR2F2 P24468 3/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44

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
SCHEMBL4199286 0.89 PAK1 (0.50) AKT1PAK1STAT3KITNR2F2
SCHEMBL13802297 0.86 EPHX2 (0.51) EPHX2TP53EPHX1NFKB1NFKB2
SCHEMBL22560683 0.86 AKT1 (0.49) AKT1PAK1EPHX2TP53EPHX1
SCHEMBL4187370 0.85 AKT1 (0.49) AKT1PAK1EPHX2TP53EPHX1
SCHEMBL4969355 0.83 AKT1 (0.54) AKT1PAK1EPHX2TP53EPHX1
SCHEMBL4191906 0.83 MAOB (0.48) STAT3SMN1; SMN2KITNR2F2ADRB2
SCHEMBL4971143 0.81 KIT (0.49) AKT1PAK1EPHX2TP53EPHX1
SCHEMBL4188823 0.81 MAOB (0.52) STAT3SMN1; SMN2KITNR2F2ADRB2
SCHEMBL4965795 0.80 PDGFRB (0.66) PAK1KIT
SCHEMBL22560593 0.79 AKT1 (0.50) AKT1PAK1EPHX2TP53EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192578-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides ARVINAS OPERATIONS, INC. (US) 2020-10-20 US disclosed
WO-2018118598-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF FETAL LIVER KINASE POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
EP-1899355-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1893215-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006135639-A1 THIΞNOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135630-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (5 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-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 AKT1 450/4885PAK1 155/4885EPHX2 1903/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 AKT1 450/4885PAK1 155/4885EPHX2 1903/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 AKT1 450/4885PAK1 155/4885EPHX2 1903/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 AKT1 265/4885PAK1 71/4885EPHX2 1072/4885
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides MDM2, CRBN, FLT3 AKT1 698/4885PAK1 752/4885EPHX2 2312/4885

“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.