SCHEMBL1945699

SCHEMBL1945699

Cc1nc2ccccc2n1-c1cc(C(=O)NC2CC2)cs1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.52
▸ TP53 P04637 2/20 0.48
▸ DHODH Q02127 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ KCNH2 Q12809 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL12543452 0.80 DHODH (0.72) HRH3TP53DHODHCYP2D6KCNH2
SCHEMBL1948459 0.77 DHODH (0.49) HRH3TP53DHODHCYP2D6KCNH2
SCHEMBL12543821 0.71 CYP2D6 (0.68) TP53DHODHCYP2D6THRBKCNH2
SCHEMBL14000448 0.70 HRH3 (0.65) HRH3TP53THRBKCNH2MAPT
SCHEMBL3670248 0.70 HRH3 (0.65) HRH3TP53THRBKCNH2MAPT
SCHEMBL3670242 0.70 HRH3 (0.65) HRH3TP53THRBKCNH2MAPT
SCHEMBL12543861 0.70 CYP2D6 (0.67) TP53DHODHCYP2D6THRBKCNH2
SCHEMBL12543147 0.70 CYP2D6 (0.59) TP53DHODHCYP2D6KCNH2MAPT
SCHEMBL12543121 0.70 CYP2D6 (0.72) TP53DHODHCYP2D6THRBKCNH2
SCHEMBL12543233 0.69 DHODH (0.85) TP53DHODHCYP2D6KCNH2MAPT

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
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 — — US disclosed
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 — — US disclosed
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 — — US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 — — US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 — — US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 — — US disclosed
WO-2009137081-A2 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-12 — — WO disclosed
WO-2009137081-A2 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-12 — — 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-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, MDH1 HRH3 1161/4885TP53 1255/4885DHODH 1/4885

“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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