SCHEMBL314484

SCHEMBL314484

COc1ccc2c(c1)NC[C@@H](C)c1nnc(-c3ccccn3)n1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
APLNR P35414 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
DCTPP1 Q9H773 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
LRRK2 Q5S007 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RUNX1 Q01196 1/20 0.38
OPRK1 P41145 2/20 0.38
AVPR1A P37288 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GLA P06280 1/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL314483 1.00 MAPT (0.40) MAPTALDH1A1APLNRL3MBTL1DCTPP1
SCHEMBL314485 1.00 MAPT (0.40) MAPTALDH1A1APLNRL3MBTL1DCTPP1
SCHEMBL314997 0.87 TNKS2 (0.37) APLNRL3MBTL1GLATNKSTNKS2
SCHEMBL314996 0.87 TNKS2 (0.37) APLNRL3MBTL1GLATNKSTNKS2
SCHEMBL314998 0.87 TNKS2 (0.37) APLNRL3MBTL1GLATNKSTNKS2
SCHEMBL314321 0.86 TACR3 (0.38) APLNR
SCHEMBL314103 0.85 AVPR1A (0.43) DCTPP1OPRK1AVPR1ATNKSTNKS2
SCHEMBL314199 0.85 TNKS2 (0.40) APLNRL3MBTL1HPGDGAANPC1
SCHEMBL314198 0.85 TNKS2 (0.40) APLNRL3MBTL1HPGDGAANPC1
SCHEMBL314101 0.85 AVPR1A (0.43) DCTPP1OPRK1AVPR1ATNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US claimed
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
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 MAPT 3329/4885ALDH1A1 2295/4885APLNR 2076/4885

“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.