SCHEMBL17372196

SCHEMBL17372196

CC(Nc1cc(C#N)ccn1)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.41
MAPK14 Q16539 7/20 0.39
TRPV4 Q9HBA0 1/20 0.37
FDPS P14324 2/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
BUB1 O43683 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
AR P10275 1/20 0.35
PANK3 Q9H999 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL2812646 0.84 MAP3K12 (0.43) MAP3K12MAPK14TRPV4FDPSAURKA
SCHEMBL30999000 0.76 FDPS (0.41) MAP3K12MAPK14FDPSAURKARPS6KB1
SCHEMBL7232240 0.76 AR (0.55) MAPK14JAK2JAK3AR
SCHEMBL3141770 0.74 CDC7 (0.46) MAP3K12TRPV4JAK2CLK4
SCHEMBL17372140 0.74 LOXL2 (0.46) MAPK14
SCHEMBL17700214 0.73 HRH4 (0.52) MAP3K12MAPK14TRPV4
SCHEMBL30998998 0.73 FDPS (0.39) MAP3K12FDPSAURKARPS6KB1PANK3
SCHEMBL30397432 0.71 KDM4E (0.47) MAP3K12TRPV4JAK2CLK4
SCHEMBL3600453 0.71 KDM4E (0.47) MAP3K12TRPV4JAK2CLK4
SCHEMBL23768363 0.70 TRPV4 (0.39) MAP3K12TRPV4JAK2CLK4

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 MAP3K12 204/4885MAPK14 462/4885TRPV4 3933/4885
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BUB1, BUB1B, AURKB MAP3K12 204/4885MAPK14 462/4885TRPV4 3933/4885

“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.