SCHEMBL5369823

SCHEMBL5369823

O=C1C=Cc2cccnc2[N]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.35
CDC25B P30305 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
PAX8 Q06710 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
PTPRC P08575 2/20 0.31

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
SCHEMBL27752738 1.00 S100A4 (0.35) S100A4CDC25BCA12CA1CA2
SCHEMBL9202967 0.75 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL4262432 0.69 CYP1A2 (0.34) S100A4CDC25BTDP2NSD2ABL1
SCHEMBL3261185 0.67
SCHEMBL223884 0.67 MAPT (0.37) CES1MEN1THRBKMT2AGAA
SCHEMBL4990807 0.67 S100A4 (0.35) S100A4CDC25BCA12CA1CA2
SCHEMBL31747733 0.65 S100A4 (0.63) S100A4CDC25BCA12CA1CA2
SCHEMBL6212776 0.65 S100A4 (0.63) S100A4CDC25BCA12CA1CA2
SCHEMBL3828353 0.64 NPC1 (0.35) TDP1ATAD2
SCHEMBL443966 0.62 CA12 (0.32) CA12CA1CA2CA9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO claimed
JP-4128284-A None JP disclosed
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
CN-109121397-A Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound 莱德克斯制药公共有限公司 2019-01-01 CN disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-9062038-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130267563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-10 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-7265227-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-09-04 US disclosed
US-20040176411-A1 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-09-09 US disclosed
JP-H04128284-A PYRIDINE DERIVATIVE AND ANTIULCER AGENT CONTAINING THE SAME SAPPORO BREWERIES LTD 1992-04-28 JP 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 S100A4 4793/4885CDC25B 294/4885CA12 4819/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 S100A4 4793/4885CDC25B 294/4885CA12 4819/4885
US-20130267563-A1 HETEROARYLS AND USES THEREOF RICTOR, MTOR, AKT1S1 S100A4 4741/4885CDC25B 187/4885CA12 4883/4885
US-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 S100A4 4377/4885CDC25B 902/4885CA12 4885/4885
US-20040176411-A1 Piperidine derivatives useful as modulators of chemokine receptor activity CCRL2, CCR1, CCR3 S100A4 4092/4885CDC25B 3410/4885CA12 4109/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 S100A4 4759/4885CDC25B 293/4885CA12 4809/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 S100A4 4759/4885CDC25B 293/4885CA12 4809/4885

“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.