SCHEMBL22552471

SCHEMBL22552471

Cc1cccnc1-n1cc(C(C)C)c2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.50
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 4/20 0.38
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL30673348 0.85 DHODH (0.54) DHODHNPSR1OPRK1
SCHEMBL22552536 0.85 DHODH (0.39) DHODHNPSR1MEN1KMT2AALDH1A1
SCHEMBL22552459 0.83 DHODH (0.49) DHODHNPSR1ALDH1A1CYP2C19ATP4A
SCHEMBL22552176 0.82 DHODH (0.52) DHODHATP4AATP4BBRD4OPRK1
SCHEMBL22552434 0.82 DHODH (0.48) DHODHMEN1KMT2AALDH1A1CYP2C9
SCHEMBL22552372 0.79 ATP4A (0.47) DHODHNPSR1MEN1KMT2AALDH1A1
SCHEMBL30849483 0.79 DHODH (0.53) DHODHALDH1A1ATP4AATP4BBRD4
SCHEMBL22552455 0.79 DHODH (0.53) DHODHALDH1A1ATP4AATP4BBRD4
SCHEMBL22552452 0.75 DHODH (0.53) DHODHATP4AATP4BPOLBBRD4
SCHEMBL22552431 0.75 DHODH (0.50) DHODHATP4AATP4BOPRK1

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 4 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
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 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 (4 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 DHODH 1/4885NPSR1 4239/4885MEN1 3056/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD DHODH 1/4885NPSR1 4239/4885MEN1 3056/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885NPSR1 4239/4885MEN1 3056/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885NPSR1 4239/4885MEN1 3056/4885

“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.