SCHEMBL17224941

SCHEMBL17224941

NC(=O)c1ccnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
DHODH Q02127 4/20 0.59
CHEK2 O96017 2/20 0.56
PRMT5 O14744 9/20 0.53

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
SCHEMBL17224929 0.91 DHODH (0.71) PARP1DHODHPRMT5
SCHEMBL17224985 0.85 PARP1 (0.64) PARP1DHODHCHEK2
SCHEMBL15985086 0.83 PRMT5 (0.70) DHODHCHEK2PRMT5
SCHEMBL19066900 0.83 PDE5A (0.50) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15972177 0.81 PRMT5 (0.67) DHODHPRMT5
SCHEMBL15972401 0.81 PRMT5 (0.67) DHODHPRMT5
SCHEMBL15985084 0.79 PRMT5 (0.74) DHODHCHEK2PRMT5
SCHEMBL15972065 0.79 PRMT5 (0.69) DHODHPRMT5
SCHEMBL15985118 0.79 PRMT5 (0.73) DHODHCHEK2PRMT5
SCHEMBL30110749 0.78 PRMT5 (0.61) PARP1HDAC3HDAC4HDAC1HDAC7

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
WO-2015166398-A1 3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-11-05 WO claimed
WO-2022167402-A1 METHODS OF THERAPY COMPRISING ADMINISTERING A THERAPEUTICALLY EFFECTIVE COMBINATION COMPRISING A DHODH INHIBITOR AND AN IDH INHIBITOR INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-08-11 WO disclosed
US-20210088520-A1 TREATMENT OF TUMORS INCORPORATING MUTANT ISOCITRATE DEHYDROGENASE SERVIER PHARMACEUTICALS LLC 2021-03-25 US disclosed
US-20190025313-A1 TREATMENT OF TUMORS INCORPORATING MUTANT ISOCITRATE DEHYDROGENASE SERVIER PHARMACEUTICALS LLC 2019-01-24 US disclosed
WO-2015166398-A1 3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-11-05 WO disclosed
WO-2015166398-A1 3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-11-05 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-20190025313-A1 TREATMENT OF TUMORS INCORPORATING MUTANT ISOCITRATE DEHYDROGENASE DHODH, IDH1, IDH3A PARP1 3431/4885HDAC3 2220/4885HDAC4 1651/4885
US-20210088520-A1 TREATMENT OF TUMORS INCORPORATING MUTANT ISOCITRATE DEHYDROGENASE DHODH, IDH1, IDH3A PARP1 3431/4885HDAC3 2220/4885HDAC4 1651/4885

“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.