SCHEMBL314524

SCHEMBL314524

COc1cc2c(cc1Cl)NC[C@@H](C)c1nnc(-c3cncc(Br)c3)n1-2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.35
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
HTR2A P28223 4/20 0.31
HTR2C P28335 4/20 0.31
HTR2B P41595 4/20 0.31
PDPK1 O15530 1/20 0.30

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
SCHEMBL314525 1.00 APLNR (0.35) APLNRALDH1A1HTTGFERHTR2A
SCHEMBL314523 1.00 APLNR (0.35) APLNRALDH1A1HTTGFERHTR2A
SCHEMBL14327446 0.89 ALDH1A1 (0.33) ALDH1A1HTTGFERHTR2AHTR2C
SCHEMBL314416 0.87
SCHEMBL314289 0.83 CYP11B1 (0.32) APLNRALDH1A1
SCHEMBL314290 0.83 CYP11B1 (0.32) APLNRALDH1A1
SCHEMBL314291 0.83 CYP11B1 (0.32) APLNRALDH1A1
SCHEMBL316012 0.79 TNIK (0.35)
SCHEMBL314016 0.76 TNKS2 (0.38) APLNRALDH1A1HTTGFER
SCHEMBL314015 0.76 TNKS2 (0.38) APLNRALDH1A1HTTGFER

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
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP 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
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
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 APLNR 2076/4885ALDH1A1 2295/4885HTT 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.