SCHEMBL29874887

SCHEMBL29874887

C=C(C)c1n[nH]c(=O)c2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.48
▸ PARP15 Q460N3 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ ENPP1 P22413 1/20 0.45
▸ DYRK1A Q13627 3/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PDE4B Q07343 2/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29874768 0.94 ENPP1 (0.47) ROCK1PARP15PARP14PARP10TNKS2
SCHEMBL24076274 0.84 HTT (0.43) ROCK1GSK3BKDM4EPRMT5WDR77
SCHEMBL29874776 0.79 TSHR (0.39) ROCK1CYP1A2KDM4EMAPTPRMT5
SCHEMBL11170339 0.78 PRKAG1 (0.56) ROCK1PARP15PARP14PARP10TNKS2
SCHEMBL2305371 0.77 DYRK1A (0.59) ROCK1PARP15PARP14PARP10TNKS2
SCHEMBL11166564 0.77 CYP1A2 (0.49) ROCK1ENPP1DYRK1ACYP1A2CYP3A4
SCHEMBL25746187 0.77 KMT2A (0.36) ROCK1CYP1A2KDM4EALDH1A1L3MBTL1
SCHEMBL24076861 0.76 PDE2A (0.44) ROCK1GSK3BHSD17B10MAPTPRMT5
SCHEMBL6591973 0.75 GSK3A (0.65) ROCK1ENPP1DYRK1AGSK3AGSK3B
SCHEMBL4124300 0.75 ENPP1 (0.66) ROCK1ENPP1DYRK1AGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 — — US disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 — — US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 — — 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 (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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD ROCK1 3017/4885PARP15 1476/4885PARP14 1421/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD ROCK1 3017/4885PARP15 1476/4885PARP14 1421/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD ROCK1 3017/4885PARP15 1476/4885PARP14 1421/4885

“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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