SCHEMBL23660937

SCHEMBL23660937

C=N/C(=C\C(=N/C)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.41
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ DHODH Q02127 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.35
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ERN1 O75460 1/20 0.32

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
SCHEMBL18868479 0.81 KMO (0.47) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL20908860 0.80 MEN1 (0.32) —
SCHEMBL10193091 0.71 PRSS1 (0.40) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL13052186 0.71 KMO (0.40) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL19942686 0.69 KMO (0.51) KMODHODHERN1
SCHEMBL21881907 0.68 KMO (0.42) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL20908677 0.68 KMO (0.42) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL22306711 0.68 PRKCI (0.42) KMO
SCHEMBL21446170 0.67 KMO (0.52) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL23723122 0.66 AKT1 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221775-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-07-22 — — 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 (1 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-20210221775-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 KMO 2558/4885PRSS1 4108/4885PRSS2 2948/4885

“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.

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