SCHEMBL17076641

SCHEMBL17076641

Cc1c(N)cnn1CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
MPO P05164 1/20 0.38
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHR1 P34998 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
POLB P06746 1/20 0.34
ADORA2A P29274 3/20 0.33
PTGS2 P35354 2/20 0.33
KAT2B Q92831 1/20 0.33
NPBWR1 P48145 1/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33

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
SCHEMBL6156218 0.93 PKM (0.48) PKMLMNAMPOMAPTKMT2A
SCHEMBL17459025 0.91 PKM (0.54) PKMLMNAMPOMAPTKMT2A
SCHEMBL21964543 0.89 EED (0.43) PKMLMNAMAPTKMT2AMEN1
SCHEMBL16985255 0.84 LMNA (0.35) PKMLMNAALDH1A1EEDRBBP4
SCHEMBL17458924 0.82 LMNA (0.40) PKMLMNAMAPTKMT2ARAB9A
SCHEMBL18256013 0.81 CRHR1 (0.46) PKMLMNAMAPTKMT2AALDH1A1
SCHEMBL5021295 0.78 PKM (0.43) PKMLMNAKMT2ACRHR1HDAC1
SCHEMBL14638402 0.74
SCHEMBL31319606 0.74 PKM (0.54) PKMLMNAHDAC1HDAC2ADORA2A
SCHEMBL31319713 0.74 PKM (0.40) PKMLMNACRHR1HDAC1HDAC2

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-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 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 (8 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT PKM 232/4885LMNA 410/4885MPO 4062/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PKM 761/4885LMNA 3015/4885MPO 3486/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA PKM 234/4885LMNA 429/4885MPO 3998/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK PKM 478/4885LMNA 3243/4885MPO 4086/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PKM 761/4885LMNA 3015/4885MPO 3486/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT PKM 232/4885LMNA 410/4885MPO 4062/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PKM 766/4885LMNA 3115/4885MPO 3415/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PKM 766/4885LMNA 3115/4885MPO 3415/4885

“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.