SCHEMBL4104295

SCHEMBL4104295

Cc1ccc(Nc2cc(C)nc3ncnn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ ALDH1A1 P00352 2/20 0.76
▸ HIF1A Q16665 1/20 0.71
▸ MAPK1 P28482 2/20 0.70
▸ ALOX15 P16050 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ NPC1 O15118 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ KDM1A O60341 1/20 0.67
▸ HTT P42858 1/20 0.66

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
SCHEMBL4107398 0.89 MEN1 (0.80) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL4105140 0.89 MEN1 (0.80) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL13769182 0.89 MEN1 (0.80) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL4090635 0.89 MEN1 (0.80) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL13730228 0.89 MEN1 (0.80) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL18118625 0.88 MEN1 (0.79) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL13730214 0.86 MEN1 (0.76) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL14132372 0.86 MEN1 (0.76) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL13730868 0.86 MEN1 (0.76) MEN1KMT2AALDH1A1HIF1AMAPK1
SCHEMBL4106565 0.86 MAPK1 (0.79) MEN1KMT2AALDH1A1HIF1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238653-B2 Antimalarial agents that are inhibitors of dihydroorotate dehydrogenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-19 — — 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-9216983-B2 Dihydroorotate dehydrogenase inhibitors with selective anti-malarial activity BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-22 — — US disclosed
US-20120302586-A1 ANTIMALARIAL AGENTS THAT ARE INHIBITORS OF DIHYDROOROTATE DEHYDROGENASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-11-29 — — 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 (2 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-20120302586-A1 ANTIMALARIAL AGENTS THAT ARE INHIBITORS OF DIHYDROOROTATE DEHYDROGENASE DHODH, DPYD, DLD MEN1 3993/4885KMT2A 2350/4885ALDH1A1 128/4885
US-20090209557-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS WITH SELECTIVE ANTI-MALARIAL ACTIVITY DHODH, DHFR, G6PD MEN1 2788/4885KMT2A 2258/4885ALDH1A1 216/4885

“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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