SCHEMBL316031

SCHEMBL316031

C[C@H]1CNc2ccc(Cl)cc2-n2c(-c3ccncc3)nnc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.35
BRD4 O60885 6/20 0.35
HTT P42858 1/20 0.34
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
BCHE P06276 2/20 0.33
HSD11B1 P28845 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDC7 O00311 1/20 0.33
MAPK9 P45984 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
CREBBP Q92793 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL316030 1.00 MAPK10 (0.35) MAPK10BRD4HTTMAPK13MAPK12
SCHEMBL316029 1.00 MAPK10 (0.35) MAPK10BRD4HTTMAPK13MAPK12
SCHEMBL313657 0.92 HSD11B1 (0.41) BRD4HTTHSD11B1TP53L3MBTL1
SCHEMBL313656 0.92 HSD11B1 (0.41) BRD4HTTHSD11B1TP53L3MBTL1
SCHEMBL313658 0.92 HSD11B1 (0.41) BRD4HTTHSD11B1TP53L3MBTL1
SCHEMBL314599 0.88 ALDH1A1 (0.46) HTTBCHEHSD11B1
SCHEMBL314597 0.88 ALDH1A1 (0.46) HTTBCHEHSD11B1
SCHEMBL314598 0.88 ALDH1A1 (0.46) HTTBCHEHSD11B1
SCHEMBL314554 0.86 HSD11B1 (0.46) BRD4HTTHSD11B1
SCHEMBL314553 0.86 HSD11B1 (0.46) BRD4HTTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 MAPK10 1454/4885BRD4 808/4885HTT 4673/4885

“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.