SCHEMBL4096412

SCHEMBL4096412

Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.79
▸ TSHR P16473 2/20 0.79
▸ ALOX15 P16050 1/20 0.79
▸ MEN1 O00255 3/20 0.75
▸ KMT2A Q03164 3/20 0.75
▸ ALDH1A1 P00352 3/20 0.72
▸ HIF1A Q16665 1/20 0.72
▸ LMNA P02545 1/20 0.67
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ POLB P06746 1/20 0.64

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
SCHEMBL13730529 0.88 MEN1 (0.74) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL4104268 0.88 MAPK1 (0.81) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL4096383 0.88 MAPK1 (1.00) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL13730228 0.86 MEN1 (0.80) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL14132988 0.86 MEN1 (0.67) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL4104295 0.86 MEN1 (1.00) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL4105506 0.85 MAPK1 (0.72) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL4935254 0.84 MEN1 (1.00) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL4108561 0.84 MAPK1 (0.83) MAPK1TSHRALOX15MEN1KMT2A
SCHEMBL4107398 0.83 MEN1 (0.80) MAPK1TSHRALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116555148-A Recombinant escherichia coli for biosynthesis of bilirubin and application thereof 浙江工业大学 2023-08-08 — — CN disclosed
US-9216983-B2 Dihydroorotate dehydrogenase inhibitors with selective anti-malarial activity BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-22 — — US disclosed
US-9216983-B2 Dihydroorotate dehydrogenase inhibitors with selective anti-malarial activity BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-22 — — US disclosed
US-9216983-B2 Dihydroorotate dehydrogenase inhibitors with selective anti-malarial activity BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-22 — — US disclosed
US-20090209557-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS WITH SELECTIVE ANTI-MALARIAL ACTIVITY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM UNIVERSITY OF WASHINGTON 2009-08-20 — — US disclosed
US-20090209557-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS WITH SELECTIVE ANTI-MALARIAL ACTIVITY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM UNIVERSITY OF WASHINGTON 2009-08-20 — — US disclosed
US-20090209557-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS WITH SELECTIVE ANTI-MALARIAL ACTIVITY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM UNIVERSITY OF WASHINGTON 2009-08-20 — — US disclosed
WO-2009082691-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS WITH SELECTIVE ANTI-MALARIAL ACTIVITY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2009-07-02 — — 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-20090209557-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS WITH SELECTIVE ANTI-MALARIAL ACTIVITY DHODH, DHFR, G6PD MAPK1 3480/4885TSHR 4432/4885ALOX15 1996/4885

“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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