SCHEMBL21742607

SCHEMBL21742607

Cc1c(-c2ccccc2)cccc1-c1cccc2sc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.45
CD274 Q9NZQ7 5/20 0.45
GPR3 P46089 1/20 0.41
F9 P00740 1/20 0.40
BRDT Q58F21 1/20 0.38
LIMK1 P53667 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
SLC9A1 P19634 2/20 0.36
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALOX5 P09917 1/20 0.34
DUSP3 P51452 1/20 0.34
BLM P54132 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL26073646 0.92 GPR3 (0.48) GPR3BRDTALDH1A1MEN1POLB
SCHEMBL26073637 0.88 SLC9A1 (0.43) PDCD1CD274GPR3F9BRDT
SCHEMBL2586682 0.86 GPR3 (0.46) PDCD1CD274GPR3F9BRDT
SCHEMBL30103536 0.86 GPR3 (0.46) PDCD1CD274GPR3F9BRDT
SCHEMBL30021890 0.86 GPR3 (0.46) PDCD1CD274GPR3F9BRDT
SCHEMBL30332923 0.86 GPR3 (0.46) PDCD1CD274GPR3F9BRDT
SCHEMBL30021871 0.86 GPR3 (0.50) PDCD1CD274GPR3F9BRDT
SCHEMBL2474182 0.86 GPR3 (0.50) PDCD1CD274GPR3F9BRDT
Bromide SCHEMBL27902456 0.84 GPR3 (0.48) PDCD1CD274GPR3F9BRDT
SCHEMBL26254171 0.83 GPR3 (0.43) PDCD1CD274GPR3F9ALDH1A1

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-20230303602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
US-20230303602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
US-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-14 US disclosed
US-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-14 US disclosed
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (3 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-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OXGR1, OCIAD1 PDCD1 588/4885CD274 246/4885GPR3 427/4885
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR PDCD1 3064/4885CD274 2447/4885GPR3 3474/4885
US-20230303602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ODC1 PDCD1 11/4885CD274 33/4885GPR3 1306/4885

“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.