SCHEMBL29403152

SCHEMBL29403152

COc1ncc(C)c(N)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
AGXT P21549 1/20 0.38
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
NOS3 P29474 4/20 0.37
NOS2 P35228 4/20 0.37
NOS1 P29475 2/20 0.37
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
NUDT1 P36639 2/20 0.34
PIK3CA P42336 2/20 0.34
POLB P06746 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
UHRF1 Q96T88 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL14853023 1.00 MAPT (0.38) MAPTCASP1AGXTAURKATTK
SCHEMBL14853183 0.79 CCR1 (0.39) MAPTCASP1AGXTAURKATTK
SCHEMBL29295060 0.79 AOC3 (0.37) MAPTAGXTNOS3NOS2NOS1
SCHEMBL20155268 0.79 MAPT (0.36) MAPTCASP1AURKATTKAURKB
SCHEMBL22207075 0.79 MAPT (0.36) MAPTCASP1AURKATTKAURKB
SCHEMBL23264653 0.79 UHRF1 (0.38) MAPTCASP1AGXTAURKATTK
SCHEMBL22224634 0.79 HTT (0.37) MAPTCASP1AGXTAURKATTK
SCHEMBL5809638 0.77 NOS3 (0.46) MAPTAGXTNOS3NOS2NOS1
SCHEMBL7845798 0.76 AGXT (0.52) MAPTAGXTHTTRECQLCCR1
Ammonia Solution, Strong SCHEMBL29016866 0.75 NOS3 (0.44) MAPTAGXTNOS3NOS2NOS1

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 12 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
CN-114174278-B Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2024-08-23 CN disclosed
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
EP-4100124-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-12-14 EP disclosed
CN-115427109-A Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-12-02 CN disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 US disclosed
EP-4051672-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2022-09-07 EP disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
CN-114650988-A Fluorinated quinoline and quinoxaline derivatives as inhibitors of dihydroorotate dehydrogenase (DHODH) for the treatment of cancer, autoimmune and inflammatory diseases 詹森生物科技公司 2022-06-21 CN disclosed
CN-114286813-A Substituted urea dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-04-05 CN disclosed
CN-114174278-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-03-11 CN disclosed
EP-3956320-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-02-23 EP 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-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD MAPT 2616/4885CASP1 3649/4885AGXT 242/4885

“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.