SCHEMBL314289

SCHEMBL314289

COc1ccc2c(c1)NCC(C)c1nnc(-c3cncc(Br)c3)n1-2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
APLNR P35414 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 1/20 0.31
PTPN1 P18031 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL314291 1.00 CYP11B1 (0.32) CYP11B1CYP11B2APLNRKDM4EALDH1A1
SCHEMBL314290 1.00 CYP11B1 (0.32) CYP11B1CYP11B2APLNRKDM4EALDH1A1
SCHEMBL315011 0.90 APLNR (0.39) CYP11B1CYP11B2APLNR
SCHEMBL315010 0.90 APLNR (0.39) CYP11B1CYP11B2APLNR
SCHEMBL315012 0.90 APLNR (0.39) CYP11B1CYP11B2APLNR
SCHEMBL14327445 0.88 CYP11B1 (0.32) CYP11B1CYP11B2APLNRKDM4EALDH1A1
SCHEMBL315203 0.87 HTT (0.37) CYP11B1CYP11B2GAAIDO1PTPN1
SCHEMBL315204 0.87 HTT (0.37) CYP11B1CYP11B2GAAIDO1PTPN1
SCHEMBL315205 0.87 HTT (0.37) CYP11B1CYP11B2GAAIDO1PTPN1
SCHEMBL314243 0.86 CYP11B2 (0.44) CYP11B1CYP11B2APLNRKDM4EALDH1A1

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 16 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
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
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
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
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US 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
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
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 CYP11B1 2125/4885CYP11B2 2270/4885APLNR 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.