SCHEMBL4185518

SCHEMBL4185518

O=C(Nc1ccc(N2CCCC2)cc1)NC1CCN(c2ncnc3ccsc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.53
GAA P10253 1/20 0.48
PAK1 Q13153 6/20 0.48
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
HTR2C P28335 1/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
EPHX2 P34913 1/20 0.43
CNR1 P21554 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
CNR2 P34972 1/20 0.43
CSF1R P07333 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4194231 0.94 KIT (0.49) KITGAAPAK1PIK3CAMTOR
SCHEMBL4196326 0.93 GAA (0.57) KITGAAPAK1PIK3CAMTOR
SCHEMBL4192384 0.87 GAA (0.53) KITGAAPAK1PIK3CAMTOR
SCHEMBL4190180 0.87 KIT (0.52) KITGAAPAK1PIK3CAMTOR
SCHEMBL4198558 0.84 ADRB2 (0.56) KITPAK1ADRB2ADRB1ADRB3
SCHEMBL4196118 0.83 PAK1 (0.55) KITPAK1PIK3CAMTORADRB2
SCHEMBL4188880 0.81 KIT (0.48) KITPAK1PIK3CAMTORADRB2
SCHEMBL4187312 0.81 KIT (0.48) KITPAK1PIK3CAMTORADRB2
SCHEMBL4188891 0.80 KIT (0.48) KITGAAPIK3CAMTORADRB2
SCHEMBL4187370 0.80 AKT1 (0.49) KITPAK1PIK3CAMTORADRB2

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-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-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281768-A1 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 92/4885GAA 2155/4885PAK1 155/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 KIT 92/4885GAA 2155/4885PAK1 155/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 KIT 92/4885GAA 2155/4885PAK1 155/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 KIT 151/4885GAA 1784/4885PAK1 71/4885
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides MDM2, CRBN, FLT3 KIT 557/4885GAA 368/4885PAK1 752/4885

“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.