SCHEMBL4188880

SCHEMBL4188880

O=C(Nc1ccc(C2CCCCC2)cc1)NC1CCN(c2ncnc3ccsc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.48
AKT1 P31749 1/20 0.46
BTK Q06187 4/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
PAK1 Q13153 2/20 0.41
PDGFRA P16234 1/20 0.40
KDR P35968 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4190180 0.95 KIT (0.52) KITBTKPIK3CAMTORAURKA
SCHEMBL4194231 0.87 KIT (0.49) KITAKT1BTKPIK3CAMTOR
SCHEMBL4196118 0.87 PAK1 (0.55) KITAKT1PIK3CAMTORADRB2
SCHEMBL4187370 0.85 AKT1 (0.49) KITAKT1PIK3CAMTORSMN1; SMN2
SCHEMBL4192384 0.84 GAA (0.53) KITAKT1PIK3CAMTORUSP2
SCHEMBL4199203 0.83 CA12 (0.55) KITAKT1ADRB2ADRB1ADRB3
SCHEMBL4195893 0.83 AKT1 (0.47) KITAKT1PIK3CAMTORAURKA
SCHEMBL4200992 0.82 CCNC (0.48) KITAKT1PIK3CAMTORADRB2
SCHEMBL4966727 0.82 PDGFRA (0.59) KITPAK1PDGFRAKDR
SCHEMBL4185518 0.81 KIT (0.53) KITPIK3CAMTORAURKAAURKB

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 14 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
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-2006135630-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135639-A1 THIΞNOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS 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 KIT 92/4885AKT1 450/4885BTK 15/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 KIT 92/4885AKT1 450/4885BTK 15/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 KIT 92/4885AKT1 450/4885BTK 15/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 KIT 151/4885AKT1 265/4885BTK 17/4885
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides MDM2, CRBN, FLT3 KIT 557/4885AKT1 698/4885BTK 1355/4885

“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.