SCHEMBL5725441

SCHEMBL5725441

NC(=O)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.71
CASP6 P55212 1/20 0.71
MAPT P10636 8/20 0.56
ALDH1A1 P00352 8/20 0.56
LMNA P02545 6/20 0.56
GAA P10253 5/20 0.56
ALOX12 P18054 4/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.56
HTR6 P50406 1/20 0.56
KDM4E B2RXH2 3/20 0.55
HTT P42858 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRA2C P18825 1/20 0.55
PTK2B Q14289 1/20 0.55

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
SCHEMBL28806386 0.86 GFER (0.73) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL854196 0.85 GFER (0.71) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL16221494 0.83 CA12 (0.67) GFERMAPTALDH1A1LMNAGAA
SCHEMBL6152986 0.83 GFER (1.00) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL3174172 0.83 CHIA (0.69) GFERMAPTALDH1A1LMNAHTR1A
SCHEMBL6152043 0.83 GFER (1.00) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL188503 0.83 GFER (1.00) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL3867043 0.82 HTR1A (0.67) MAPTALDH1A1LMNACYP2C9CYP2C19
SCHEMBL22854086 0.82 PANK3 (0.57) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL28562 0.82 ALDH1A1 (0.59) GFERCASP6MAPTALDH1A1LMNA

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 25 patents — showing the first 20. 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
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
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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 (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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GFER 3828/4885CASP6 3379/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK GFER 4102/4885CASP6 3453/4885MAPT 501/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GFER 3828/4885CASP6 3379/4885MAPT 470/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK GFER 3828/4885CASP6 3379/4885MAPT 470/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 GFER 3779/4885CASP6 3137/4885MAPT 634/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GFER 3792/4885CASP6 3264/4885MAPT 438/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 GFER 4260/4885CASP6 1599/4885MAPT 3466/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GFER 3792/4885CASP6 3264/4885MAPT 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.