SCHEMBL8442255

SCHEMBL8442255

COc1ccc(SC2CCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
PTGIR P43119 1/20 0.40
MDM2 Q00987 1/20 0.39

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
SCHEMBL8428152 0.96 MAOA (0.50) DDB1CRBNMAOAMAOBCA12
SCHEMBL23323067 0.94 MAOA (0.53) DDB1CRBNMAOAMAOBCA12
SCHEMBL1186647 0.92 DDB1 (0.51) DDB1CRBNMAOAMAOBCA12
SCHEMBL8428605 0.83 TDP1 (0.50) DDB1CRBNMAOAMAOBCA12
SCHEMBL17374509 0.83 DDB1 (0.45) DDB1CRBNCA12CA1CA2
SCHEMBL8438185 0.78 PARP10 (0.47) MAOAMAOBALDH1A1PTGIRSMN1; SMN2
SCHEMBL23295277 0.78 MAOA (0.65) DDB1CRBNMAOAMAOBALDH1A1
SCHEMBL19869109 0.77 RAB9A (0.42) DDB1CRBNCA12CA1CA2
SCHEMBL15271173 0.77 MAOA (0.50) DDB1CRBNMAOAMAOBNPC1
SCHEMBL4467299 0.77 DDB1 (0.47) DDB1CRBNMAOAMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121322-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-04 US disclosed
US-20170121322-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-04 US disclosed
US-20170121322-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-04 US disclosed
EP-3157919-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 EP disclosed
CN-106573931-A Bet-protein inhibiting 3,4-dihydropyrido[2,3-b]pyrazinones with meta-substituted aromatic amino- or ether groups 拜耳医药股份有限公司 2017-04-19 CN disclosed
WO-2015193219-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2015193219-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
EP-0966438-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998034915-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1998-08-13 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 (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-20170121322-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BRD4, BRDT, BRD3 DDB1 62/4885CRBN 663/4885MAOA 4666/4885

“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.