SCHEMBL17076777

SCHEMBL17076777

Nc1cnn(Cc2cnccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CREBBP Q92793 1/20 0.33
KCNK13 Q9HB14 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KLKB1 P03952 3/20 0.32
TLR7 Q9NYK1 1/20 0.32
GRIN1 Q05586 3/20 0.31

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
SCHEMBL29876460 0.78 ALDH1A1 (0.54) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL3261928 0.78 ALDH1A1 (0.54) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL15650410 0.77 MAPT (0.46) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL17076793 0.73 L3MBTL1 (0.51) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL17076851 0.72 GRIN1 (0.34) ALDH1A1HSP90AA1GABRA1GABRA5ADORA3
SCHEMBL28858185 0.71 GAA (0.46) MAPTALDH1A1MEN1KMT2AGABRA1
SCHEMBL27489110 0.71 CYP19A1 (0.46) MAPTALDH1A1KMT2AGABRA1GABRA5
SCHEMBL1979091 0.71 MAPT (0.65) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL14699150 0.71 MAPT (0.44) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL4024502 0.71 MAPT (0.55) MAPTLMNAL3MBTL1ALDH1A1PKM

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
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 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 (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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885LMNA 3015/4885L3MBTL1 457/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 501/4885LMNA 3243/4885L3MBTL1 505/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885LMNA 3015/4885L3MBTL1 457/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885LMNA 3115/4885L3MBTL1 485/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885LMNA 3115/4885L3MBTL1 485/4885

“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.