SCHEMBL3759998

SCHEMBL3759998

COc1cccc(-c2c[c]ccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
CYP19A1 P11511 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TOP1 P11387 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.47
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44

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
SCHEMBL5540994 0.81 CLK4 (0.52) DYRK1ACLK4CYP19A1SMN1; SMN2NPC1
SCHEMBL4278798 0.81 LMNA (0.46) FYNMAPT
SCHEMBL16471822 0.80 CCR1 (0.68) DYRK1ACLK4CYP19A1SMN1; SMN2TOP1
SCHEMBL29496945 0.78 DYRK1A (0.66) DYRK1ACLK4CYP19A1SMN1; SMN2TOP1
SCHEMBL183897 0.78 DYRK1A (0.66) DYRK1ACLK4CYP19A1SMN1; SMN2TOP1
SCHEMBL1416518 0.77 CLK4 (0.51) DYRK1ACLK4CYP19A1SMN1; SMN2TOP1
SCHEMBL5537490 0.77 ALDH1A1 (0.51) SMN1; SMN2NPC1PKMRAB9AFYN
SCHEMBL6831093 0.77 DYRK1A (0.64) DYRK1ACLK4CYP19A1SMN1; SMN2TOP1
SCHEMBL2485408 0.77 DYRK1A (0.64) DYRK1ACLK4CYP19A1SMN1; SMN2TOP1
SCHEMBL2431863 0.76 CCR1 (0.58) DYRK1ACLK4CYP19A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987309-B2 Compounds, pharmaceutical compositions and methods of use of 2-aryl pyridylazoles THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2012-05-31 US disclosed
WO-2010121243-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2010-10-21 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 (1 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-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CDK2, CCNC DYRK1A 4093/4885CLK4 2884/4885CYP19A1 565/4885

“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.