SCHEMBL12354538

SCHEMBL12354538

CCCN(CCC)CCOC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
EBP Q15125 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9024746 1.00 PIK3CD (0.37) PIK3CDMEN1KMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL14801600 0.97 PIK3CD (0.36) PIK3CDMEN1KMT2AMAOAMAOB
Bromide SCHEMBL14801362 0.97 PIK3CD (0.36) PIK3CDMEN1KMT2AMAOAMAOB
SCHEMBL12305100 0.90 HTR1B (0.39) MAOAMAOBHTR1ADRD3
SCHEMBL12663243 0.89 MEN1 (0.37) PIK3CDMEN1KMT2APOLB
SCHEMBL12131662 0.88 LCK (0.34) PIK3CDMEN1KMT2A
SCHEMBL15800488 0.88 LMNA (0.43) PIK3CDMEN1KMT2AHRH3POLB
SCHEMBL16592400 0.88 MEN1 (0.33) PIK3CDMEN1KMT2APOLB
SCHEMBL16838261 0.88 HSD17B10 (0.35) PIK3CDMEN1KMT2A
SCHEMBL1292539 0.87 PIK3CD (0.43) PIK3CDMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081927-A1 COMPOUNDS FOR IMPROVEMENT OF VIRAL PRODUCTION TENAYA THERAPEUTICS, INC. (US) 2024-04-18 WO disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG SUZHOU RAYMON PHARMACEUTICALS COMPANY LTD (CN) 2021-11-04 US disclosed
WO-2021055612-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
EP-3140300-B1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INT GMBH (DE) 2019-08-14 EP disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-7997718-B2 Substrate having dye with dendrimer axial ligands disposed thereon SILVERBROOK RESEARCH PTY LTD (AU) 2011-08-16 US disclosed
US-7971986-B2 Inkjet containing phthalocyanine dye with non-planar groups SILVERBROOK RESEARCH PTY LTD (AU) 2011-07-05 US disclosed
US-7423145-B2 Method of minimizing absorption of visible light in ink compositions comprising infrared-absorbing macrocyclic cyanine dyes SILVERBROOK RESEARCH PTY LTD (AU) 2008-09-09 US disclosed
US-7417141-B2 Cyanine dye having reduced visible absorption SILVERBROOK RESEARCH PTY LTD (AU) 2008-08-26 US disclosed
US-20080170103-A1 ELONGATE BI-LITHIC PRINTHEAD WITH A SUPPORT MEMBER SILVERBROOK RESEARCH PTY LTD 2008-07-17 US disclosed
US-7367665-B2 Metal-cyanine dye having axial ligands which reduce visible absorption SILVERBROOK RESEARCH PTY LTD (AU) 2008-05-06 US disclosed
US-20070299257-A1 GALLIUM NAPHTHALOCYANINE DYE SILVERBROOK RESEARCH PTY LTD. 2007-12-27 US disclosed
US-20070266891-A1 INK COMPRISING GALLIUM NAPHTHALOCYANINE DYE SILVERBROOK RESEARCH PTY LTD 2007-11-22 US disclosed
US-7278727-B2 Method of minimizing absorption of visible light in infrared dyes SILVERBROOK RESEARCH PTY LTD (AU) 2007-10-09 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed
US-20070044680-A1 Inkjet ink comprising IR dye with a plurality of water-solubilizing alcohol substituents SILVERBROOK RESEARCH PTY LTD 2007-03-01 US disclosed
US-20070034113-A1 Inkjet ink comprising gallium naphthalocyanine dye SILVERBROOK RESEARCH PTY LTD 2007-02-15 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 (4 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-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 PIK3CD 112/4885MEN1 3831/4885KMT2A 1670/4885
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 PIK3CD 4277/4885MEN1 3199/4885KMT2A 1789/4885
US-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG PIK3CA, PIK3CD, PIK3R5 PIK3CD 2/4885MEN1 1606/4885KMT2A 3287/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 PIK3CD 2008/4885MEN1 3947/4885KMT2A 944/4885

“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.