SCHEMBL17372140

SCHEMBL17372140

CC(Nc1cc(CN)ccn1)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.46
LOX P28300 3/20 0.42
LOXL3 P58215 1/20 0.42
MAPK14 Q16539 5/20 0.38
HTR7 P34969 2/20 0.36
NR3C2 P08235 1/20 0.36
CFD P00746 1/20 0.36
KARS1 Q15046 1/20 0.35

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
SCHEMBL17372006 0.83 LOXL2 (0.47) LOXL2LOXLOXL3MAPK14NR3C2
SCHEMBL2643263 0.74 LOXL2 (0.52) LOXL2LOXLOXL3NR3C2KARS1
SCHEMBL17372196 0.74 MAP3K12 (0.41) MAPK14
SCHEMBL18720518 0.71 LOXL2 (0.49) LOXL2LOXLOXL3NR3C2KARS1
SCHEMBL15350159 0.71 LOXL2 (0.54) LOXL2NR3C2
SCHEMBL18720519 0.69 LOXL2 (0.46) LOXL2LOXLOXL3KARS1
SCHEMBL29528676 0.68 MAPK14 (0.46) MAPK14HTR7
SCHEMBL14270718 0.68 NOS3 (0.48) MAPK14HTR7NR3C2
SCHEMBL19516881 0.68 MAPK14 (0.46) MAPK14HTR7
SCHEMBL19516879 0.68 MAPK14 (0.46) MAPK14HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 US disclosed
EP-3157914-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2018-09-26 EP disclosed
EP-3157914-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 EP disclosed
US-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
US-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
US-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
WO-2015193339-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2015193339-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 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 (2 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-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BUB1, BUB1B, AURKB LOXL2 4391/4885LOX 3627/4885LOXL3 4493/4885
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BUB1, BUB1B, AURKB LOXL2 4391/4885LOX 3627/4885LOXL3 4493/4885

“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.