SCHEMBL22011430

SCHEMBL22011430

Ic1cc2c(ccc3sc4ccccc4c32)c2c1sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
MAPT P10636 7/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HCRTR1 O43613 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
DUSP3 P51452 1/20 0.37
BLM P54132 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL22011432 0.90 TNKS (0.46) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL24171866 0.81 ALDH1A1 (0.43) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL24171418 0.81 MAPT (0.43) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL16985163 0.80 GPR3 (0.62) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL22011437 0.79 GPR3 (0.39) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL19109241 0.79 GPR3 (0.56) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL24614818 0.76 GPR3 (0.41) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL22601370 0.75 GPR3 (0.50) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL1636532 0.75 GPR3 (0.61) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL17689841 0.74 GPR3 (0.57) GPR3TNKSTNKS2MAPTRAB9A

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-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 GPR3 2982/4885TNKS 3801/4885TNKS2 2931/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 GPR3 2982/4885TNKS 3801/4885TNKS2 2931/4885

“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.