SCHEMBL7703948

SCHEMBL7703948

C1=C(CNCc2ccccc2)OCO1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.43
MAOA P21397 1/20 0.41
MPO P05164 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
CHRM2 P08172 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BCHE P06276 1/20 0.40
PARP1 P09874 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL182272 0.77 CALM1 (0.44) MEN1KMT2ATDP1
SCHEMBL1715426 0.77 HRAS (0.44) MEN1KMT2AMAOATP53GAA
SCHEMBL218277 0.76 MAOA (0.39) TDP1MAOA
SCHEMBL1654 0.73 MEN1 (0.78) MEN1KMT2ATDP1PKMMAOA
Benzene SCHEMBL11697595 0.73 MEN1 (0.78) MEN1KMT2ATDP1PKMMAOA
SCHEMBL5799878 0.73 MEN1 (0.78) MEN1KMT2ATDP1PKMMAOA
SCHEMBL333955 0.73 HSD17B10 (0.39) MEN1KMT2ATDP1PKMMAOA
SCHEMBL9957790 0.71 HTR5A (0.47) MEN1KMT2ACHRM2GAAMAPT
Hydrochloric Acid SCHEMBL1862144 0.71 MEN1 (0.74) MEN1KMT2ATDP1PKMMAOA
SCHEMBL21550054 0.71 MEN1 (0.74) MEN1KMT2ATDP1PKMMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083624-B1 TETRAHYDRO-TETRAZOLO[1,5-A]PYRAZINES AS ROR-GAMMA INHIBITORS MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
US-9688684-B2 Substituted tetrazolo[1,5-a]pyrazines as ROR-gamma inhibitors MERCK PATENT GMBH (DE) 2017-06-27 US disclosed
US-20160311830-A1 TETRAHYDRO-TETRAZOLO[1,5-A]PYRAZINES AS ROR-GAMMA INHIBITORS MERCK PATENT GMBH (DE) 2016-10-27 US disclosed
EP-3083624-A1 TETRAHYDRO-TETRAZOLO[1,5-A]PYRAZINES AS ROR-GAMMA INHIBITORS Merck Patent GmbH (DE) 2016-10-26 EP disclosed
WO-2015090507-A1 TETRAHYDRO-TETRAZOLO[1,5-A]PYRAZINES AS ROR-GAMMA INHIBITORS MERCK PATENT GMBH (DE) 2015-06-25 WO disclosed
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 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-20160311830-A1 TETRAHYDRO-TETRAZOLO[1,5-A]PYRAZINES AS ROR-GAMMA INHIBITORS RORC, RORA, RORB MEN1 3472/4885KMT2A 3035/4885TDP1 4676/4885

“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.