SCHEMBL2147667

SCHEMBL2147667

c1cc(-n2cnc3ccccc32)nc(-n2cnc3ccccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
ROCK1 Q13464 1/20 0.65
HTT P42858 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.56
MKNK1 Q9BUB5 5/20 0.55
MKNK2 Q9HBH9 3/20 0.55
LCK P06239 2/20 0.54
FGFR1 P11362 3/20 0.53
CDK2 P24941 1/20 0.51

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
SCHEMBL31722849 1.00 POLB (0.70) POLBROCK1HTTIRAK4MKNK1
SCHEMBL4813477 0.88 POLB (0.60) POLBROCK1HTTIRAK4MKNK1
SCHEMBL2187372 0.83 ROCK1 (0.59) POLBROCK1HTTIRAK4MKNK1
SCHEMBL17351699 0.83 FGFR1 (0.62) POLBROCK1HTTMKNK1MKNK2
SCHEMBL29744972 0.82 POLB (1.00) POLBROCK1HTTMKNK1MKNK2
SCHEMBL1346814 0.82 POLB (1.00) POLBROCK1HTTMKNK1MKNK2
SCHEMBL31241183 0.82 POLB (0.67) POLBROCK1HTTMKNK1MKNK2
SCHEMBL9338772 0.81 POLB (0.96) POLBROCK1HTTMKNK1MKNK2
SCHEMBL9025863 0.79 PIK3CB (0.68) POLBROCK1HTTMKNK1MKNK2
SCHEMBL21554382 0.79 ROCK1 (0.68) POLBROCK1HTTMKNK1MKNK2

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-20150307538-A1 USE OF THERMALLY-TREATED SUPPORTED COBALT CATALYSTS COMPRISING A POLYCYCLIC AROMATIC STRUCTURE CONSISTING OF NITROGEN LIGANDS FOR HYROGENATING AROMATIC NITRO COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2015-10-29 US claimed
US-20230391703-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS UNIVERSITY OF SOUTH CAROLINA 2023-12-07 US disclosed
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-10-03 US disclosed
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-10-03 US disclosed
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-10-03 US disclosed
US-20210198171-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS UNIVERSITY OF SOUTH CAROLINA 2021-07-01 US disclosed
US-20210198171-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS UNIVERSITY OF SOUTH CAROLINA 2021-07-01 US disclosed
EP-2526129-B1 ETHYLENE POLYMERISATION PROCESS SAUDI BASIC IND CORP (SABIC) (SA) 2017-09-27 EP disclosed
US-9320686-B2 Dental materials based on compounds having debonding-on-demand properties IVOCLAR VIVADENT AG (LI) 2016-04-26 US disclosed
US-20150307538-A1 USE OF THERMALLY-TREATED SUPPORTED COBALT CATALYSTS COMPRISING A POLYCYCLIC AROMATIC STRUCTURE CONSISTING OF NITROGEN LIGANDS FOR HYROGENATING AROMATIC NITRO COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2015-10-29 US disclosed
US-20140371341-A1 DENTAL MATERIALS BASED ON COMPOUNDS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2014-12-18 US disclosed
WO-2011088990-A1 ETHYLENE POLYMERISATION SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2011-07-28 WO disclosed
US-7696298-B2 Poly(arylenebenzimidazole) polymers and copolymers HAY ALLAN S 2010-04-13 US disclosed
US-20090131623-A1 Poly(arylenebenzimidazole) polymers and copolymers HAY ALLAN S 2009-05-21 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 (5 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-20210198171-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, PAH POLB 1403/4885ROCK1 4711/4885HTT 1387/4885
US-20140371341-A1 DENTAL MATERIALS BASED ON COMPOUNDS HAVING DEBONDING-ON-DEMAND PROPERTIES NR2E1, RCOR3, NR0B1 POLB 1794/4885ROCK1 2395/4885HTT 3893/4885
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, PAH POLB 1403/4885ROCK1 4711/4885HTT 1387/4885
US-20150307538-A1 USE OF THERMALLY-TREATED SUPPORTED COBALT CATALYSTS COMPRISING A POLYCYCLIC AROMATIC STRUCTURE CONSISTING OF NITROGEN LIGANDS FOR HYROGENATING AROMATIC NITRO COMPOUNDS NUP188, NUP50, NUCB2 POLB 1980/4885ROCK1 2408/4885HTT 293/4885
US-20230391703-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, PAH POLB 1403/4885ROCK1 4711/4885HTT 1387/4885

“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.