SCHEMBL23213758

SCHEMBL23213758

CCn1c(C)nc(Br)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL29149768 0.78 ALDH1A1 (0.38) CYP1A2CYP3A4CYP2C19KMT2AKDM4E
SCHEMBL7652308 0.73 DCTPP1 (0.44)
SCHEMBL23213871 0.73 KDM4E (0.34) CYP1A2CYP3A4CYP2C19KMT2AKDM4E
SCHEMBL5897628 0.69 KDM4E (0.32) KDM4E
SCHEMBL5673040 0.67
SCHEMBL5896944 0.65 KDM4E (0.32) KDM4E
SCHEMBL23214570 0.65 CSNK2A1 (0.38) KDM4ERAD52
SCHEMBL5161419 0.61 MAPT (0.41) KDM4E
SCHEMBL30690417 0.60 KDM4E (0.54) CYP1A2HDAC1HDAC8KMT2AKDM4E
SCHEMBL13925995 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114630822-B Biaryl dihydroorotate acid dehydrogenase inhibitors 詹森生物科技公司 2024-10-01 CN disclosed
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
CN-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN disclosed
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 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-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD CYP1A2 259/4885CYP3A4 437/4885CYP2C19 408/4885

“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.