SCHEMBL1799442

SCHEMBL1799442

C1CCCN(CN2CCCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL348065 1.00 HRH3 (0.50) HRH3KMT2AMEN1LMNACHRM5
SCHEMBL7007038 1.00 HRH3 (0.50) HRH3KMT2AMEN1LMNACHRM5
SCHEMBL3558131 0.96 HRH3 (0.47) HRH3KMT2AMEN1LMNACHRM5
Hydrochloric Acid SCHEMBL10442200 0.96 HRH3 (0.47) HRH3KMT2AMEN1LMNACHRM5
Hydrochloric Acid SCHEMBL22322297 0.96 HRH3 (0.47) HRH3KMT2AMEN1LMNACHRM5
SCHEMBL277482 0.96 LMNA (0.47) HRH3KMT2AMEN1LMNACHRM5
Hydrochloric Acid SCHEMBL10442465 0.93 HRH3 (0.45) HRH3KMT2AMEN1LMNACHRM5
SCHEMBL3553239 0.92 LMNA (0.44) HRH3KMT2AMEN1LMNACHRM5
SCHEMBL13776923 0.87
SCHEMBL20363777 0.85 LMNA (0.40) HRH3KMT2AMEN1LMNACHRM5

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US claimed
US-20210403486-A1 SELENOPHENOCHROMENE HYDROXAMIC ACIDS, PREPARATION AND USE AS ANGIOGENESIS INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2021-12-30 US claimed
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP claimed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US claimed
EP-2164849-A2 PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AEterna Zentaris GmbH (DE) 2010-03-24 EP claimed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US claimed
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 US claimed
EP-2109611-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-10-21 EP claimed
WO-2008138878-A2 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2008-11-20 WO claimed
EP-1990342-A1 Pyridopyrazine Derivatives, Process of Manufacturing and Uses thereof AEterna Zentaris GmbH (DE) 2008-11-12 EP claimed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO claimed
US-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 US claimed
WO-2007144669-A1 PYRAZOLO[1,5-A]QUINAZOLIN-5(4H)-ONES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-21 WO claimed
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US claimed
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 US claimed
EP-1506189-A1 PYRROLE DERIVATIVES AS INHIBITORS OF ERK2 AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-02-16 EP claimed
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-12 US claimed
WO-2003091246-A1 PYRROLE DERIVATIVES AS INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-06 WO claimed
WO-2024112775-A1 COMPOSITIONS AND METHODS FOR EDITING A TRANSTHYRETIN GENE BEAM THERAPEUTICS INC. (US) 2024-05-30 WO disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP 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 (6 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-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, MAPK3, CDK1 HRH3 815/4885KMT2A 1167/4885MEN1 916/4885
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 HRH3 2113/4885KMT2A 2378/4885MEN1 1842/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 HRH3 4634/4885KMT2A 4180/4885MEN1 3446/4885
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 HRH3 2909/4885KMT2A 1086/4885MEN1 2811/4885
US-20210403486-A1 SELENOPHENOCHROMENE HYDROXAMIC ACIDS, PREPARATION AND USE AS ANGIOGENESIS INHIBITORS EDF1, VEGFA, HDGF HRH3 2580/4885KMT2A 2633/4885MEN1 3585/4885
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, CDK1, CDK3 HRH3 1202/4885KMT2A 901/4885MEN1 1153/4885

“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.