SCHEMBL22207152

SCHEMBL22207152

COc1cnc(N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
FYN P06241 4/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN11 Q06124 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
EPX P11678 1/20 0.36
LPO P22079 1/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL2476393 0.79 MAP4K4 (0.49) MPOTPOEPXLPO
SCHEMBL2957518 0.78 ALDH1A1 (0.42) NOS3NOS1NOS2FYNMEN1
SCHEMBL5942319 0.78 CHRNB2 (0.41)
SCHEMBL5942329 0.77 CHRNB2 (0.40) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2901554 0.77 FYN (0.45) NOS3NOS1NOS2FYNMEN1
SCHEMBL23948543 0.77 NOS3 (0.56) NOS3NOS1NOS2FYNFGFR1
SCHEMBL28051945 0.77 LMNA (0.47) HSP90AA1HSP90AB1
SCHEMBL24738147 0.77 HTT (0.56) NOS3NOS1NOS2FYNMEN1
SCHEMBL29492793 0.77 NOS3 (0.56) NOS3NOS1NOS2FYNFGFR1
SCHEMBL12563479 0.75 TAAR1 (0.42) NOS3NOS1NOS2FYNNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908579-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-27 EP disclosed
US-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-24 US disclosed
EP-3908579-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2021-11-17 EP disclosed
CN-113574054-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2021-10-29 CN disclosed
WO-2020144638-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-07-16 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-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD NOS3 1205/4885NOS1 1007/4885NOS2 1336/4885

“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.