SCHEMBL19699783

SCHEMBL19699783

O=C(O)c1cc2sccc2nc1N1CC2(COC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ PIN1 Q13526 5/20 0.36
▸ SYK P43405 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL19699779 0.79 MAOB (0.43) PIN1MAOBHTR6MGLLPDE10A
SCHEMBL19699781 0.69 ROCK2 (0.35) PDE10AROCK2CHRM4PKM
SCHEMBL10402911 0.69 MAPT (0.41) CSNK2A2CSNK2BCSNK2A1DAO
SCHEMBL17478633 0.69 OPRK1 (0.50) —
SCHEMBL19699776 0.69 DHODH (0.39) SYKCHRM4HDAC4
SCHEMBL19699772 0.68 KMT2A (0.53) PDE10AHDAC4
SCHEMBL13755932 0.68 KEAP1 (0.46) CSNK2A2CSNK2BCSNK2A1SPRDAO
SCHEMBL1680848 0.68 IKBKB (0.39) CSNK2A2CSNK2BCSNK2A1DAO
SCHEMBL19699778 0.66 OPRK1 (0.37) PDE10AHDAC4
SCHEMBL19699777 0.65 ADRA1A (0.35) SYKPDE10ACHRM4

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-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 — — 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 (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-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES ZC3HAV1, DHX15, AZI2 CSNK2A2 4438/4885CSNK2B 4473/4885CSNK2A1 4641/4885

“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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