SCHEMBL2812646

SCHEMBL2812646

CC(C)Nc1cc(C#N)ccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPK14 Q16539 5/20 0.40
MAPK10 P53779 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
FDPS P14324 2/20 0.40
TRPV4 Q9HBA0 1/20 0.39
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PANK3 Q9H999 1/20 0.36
USP30 Q70CQ3 1/20 0.36
LRRK2 Q5S007 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL17372196 0.84 MAP3K12 (0.41) MAP3K12MAPK14FDPSTRPV4AURKA
SCHEMBL30999000 0.80 FDPS (0.41) MAP3K12MAPK14FDPSAURKARPS6KB1
SCHEMBL7232240 0.80 AR (0.55) MAPK14JAK2JAK3
SCHEMBL3141770 0.79 CDC7 (0.46) MAP3K12ABCB1ABCG2TRPV4CLK4
SCHEMBL17700214 0.77 HRH4 (0.52) MAP3K12MAPK14HRH4TRPV4
SCHEMBL30998998 0.77 FDPS (0.39) MAP3K12FDPSAURKARPS6KB1PANK3
SCHEMBL29851369 0.75 FDPS (0.59) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL828257 0.75 FDPS (0.59) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL30397432 0.75 KDM4E (0.47) MAP3K12TRPV4CLK4JAK2
SCHEMBL3600453 0.75 KDM4E (0.47) MAP3K12TRPV4CLK4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
WO-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed
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
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C WINDTREE THERAPEUTICS, INC. 2015-10-01 US disclosed
US-9012656-B2 Oligothiophene derivate as molecular probes CELLUMINOVA AB (SE) 2015-04-21 US disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 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 (5 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 204/4885ABCB1 1310/4885ABCC1 2008/4885
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BUB1, BUB1B, AURKB MAP3K12 204/4885ABCB1 1310/4885ABCC1 2008/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR MAP3K12 91/4885ABCB1 4410/4885ABCC1 3278/4885
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C PRKCQ, PRKCA, PRKCZ MAP3K12 47/4885ABCB1 3788/4885ABCC1 2984/4885
US-20100249071-A1 Modulators of S1P and Methods of Making And Using S1PR5, S1PR1, S1PR2 MAP3K12 2028/4885ABCB1 2144/4885ABCC1 4110/4885

“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.