SCHEMBL13575486

SCHEMBL13575486

COc1cc(C(=O)N2CCCCC2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 6/20 0.55
HSD11B1 P28845 2/20 0.54
POLB P06746 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 2/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN7 P35236 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51

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
SCHEMBL1782181 0.98 HPGD (0.64) HPGDL3MBTL1HSD17B10ALDH1A1HSD11B1
SCHEMBL30870987 0.98 HPGD (0.64) HPGDL3MBTL1HSD17B10ALDH1A1HSD11B1
SCHEMBL15651739 0.95 HPGD (0.60) HPGDL3MBTL1HSD17B10ALDH1A1HSD11B1
SCHEMBL30871381 0.95 HPGD (0.60) HPGDL3MBTL1HSD17B10ALDH1A1HSD11B1
SCHEMBL15880929 0.92 ALDH1A1 (0.59) HPGDL3MBTL1HSD17B10ALDH1A1HSD11B1
SCHEMBL1912013 0.87 LRRK2 (0.69) L3MBTL1ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL520418 0.87 POLB (0.63) HPGDL3MBTL1ALDH1A1HSD11B1POLB
SCHEMBL29531076 0.87 POLB (0.63) HPGDL3MBTL1ALDH1A1HSD11B1POLB
SCHEMBL29531267 0.87 PKM (0.57) HPGDL3MBTL1HSD17B10ALDH1A1HSD11B1
SCHEMBL12312321 0.87 ALDH1A1 (0.54) HPGDL3MBTL1HSD17B10ALDH1A1HSD11B1

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-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
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 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 (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 HPGD 4082/4885L3MBTL1 457/4885HSD17B10 4360/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HPGD 3245/4885L3MBTL1 505/4885HSD17B10 4754/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HPGD 4082/4885L3MBTL1 457/4885HSD17B10 4360/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HPGD 4156/4885L3MBTL1 485/4885HSD17B10 4376/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HPGD 4156/4885L3MBTL1 485/4885HSD17B10 4376/4885

“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.