SCHEMBL14320615

SCHEMBL14320615

Nc1cccc(-c2ccnc3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.54
TTK P33981 1/20 0.54
AURKB Q96GD4 1/20 0.54
INCENP Q9NQS7 1/20 0.54
MAP4K4 O95819 2/20 0.51
ACVR1 Q04771 5/20 0.50
NCF1 P14598 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TGFBR1 P36897 3/20 0.47
MAPK14 Q16539 1/20 0.47
GRM4 Q14833 2/20 0.46
MAOA P21397 1/20 0.46
HTR2B P41595 1/20 0.46
MTNR1A P48039 1/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3CA P42336 1/20 0.45
BRD4 O60885 1/20 0.44
CYP1A2 P05177 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL29521505 0.90 MAP4K4 (0.65) AURKATTKAURKBINCENPMAP4K4
SCHEMBL14320546 0.90 MAP4K4 (0.65) AURKATTKAURKBINCENPMAP4K4
SCHEMBL30583075 0.83 PIK3CA (0.59) AURKATTKAURKBINCENPACVR1
SCHEMBL19991864 0.83 PIK3CA (0.59) AURKATTKAURKBINCENPACVR1
SCHEMBL3974248 0.81 NCF1 (0.55) AURKATTKAURKBINCENPACVR1
SCHEMBL4017563 0.80 PIK3CD (0.54) AURKATTKAURKBINCENPMAP4K4
SCHEMBL28659657 0.80 GRM4 (0.61) AURKATTKAURKBINCENPMAP4K4
SCHEMBL21982345 0.80 ACVR1 (0.52) AURKATTKAURKBINCENPACVR1
SCHEMBL28647085 0.80 NUDT1 (0.57) AURKATTKAURKBINCENPACVR1
SCHEMBL35327 0.80 TGFBR1 (0.60) AURKATTKAURKBINCENPMAP4K4

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 14 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
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 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 (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 AURKA 716/4885TTK 154/4885AURKB 485/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK AURKA 477/4885TTK 101/4885AURKB 389/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK AURKA 716/4885TTK 154/4885AURKB 485/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK AURKA 716/4885TTK 154/4885AURKB 485/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 AURKA 841/4885TTK 129/4885AURKB 381/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK AURKA 640/4885TTK 160/4885AURKB 455/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK AURKA 640/4885TTK 160/4885AURKB 455/4885

“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.