SCHEMBL13723366

SCHEMBL13723366

Nc1cccc(NC=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.50
▸ BIRC2 Q13490 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HSD11B1 P28845 1/20 0.41
▸ NOS2 P35228 2/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ ASIC3 Q9UHC3 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ BACE1 P56817 2/20 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
SCHEMBL18891533 0.84 ALDH1A1 (0.44) MAPTKDM4EALDH1A1RAB9ATDP1
SCHEMBL11712255 0.75 RAB9A (0.55) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL21159432 0.75 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2A
SCHEMBL16332952 0.75 GRM5 (0.39) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1861757 0.75 RAB9A (0.55) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL7984520 0.75 FFAR2 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL9878020 0.75 SCN9A (0.53) XIAPBIRC2MAPTKDM4EHSD11B1
Pyridine SCHEMBL28827278 0.73 ALDH1A1 (0.40) MAPTKDM4EALDH1A1RAB9ATDP1
SCHEMBL18655885 0.73 — —
SCHEMBL690670 0.71 — —

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 20 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-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 — — EP 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
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 — — CN disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
CN-1849307-B Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht1f agonists LILLY CO ELI 2011-08-03 — — CN disclosed
CN-1849307-A As 5-HT1FSubstituted 2-carbonylamino-6-agonistsPiperidinylaminopyridines and substituted 1-carbonylamino-3-piperidinylaminophenyls LILLY CO ELI (US) 2006-10-18 — — CN 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 (7 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 XIAP 659/4885BIRC2 1804/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK XIAP 604/4885BIRC2 1927/4885MAPT 501/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK XIAP 659/4885BIRC2 1804/4885MAPT 470/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK XIAP 659/4885BIRC2 1804/4885MAPT 470/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 XIAP 438/4885BIRC2 1386/4885MAPT 634/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK XIAP 585/4885BIRC2 1598/4885MAPT 438/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK XIAP 585/4885BIRC2 1598/4885MAPT 438/4885

“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.

Send feedback