SCHEMBL4402187

SCHEMBL4402187

Nc1cc(-c2ccnc(N)c2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.63
MKNK1 Q9BUB5 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
NOS3 P29474 5/20 0.56
NOS2 P35228 5/20 0.56
NOS1 P29475 4/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PDPK1 O15530 1/20 0.55
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL30935767 1.00 DYRK1A (0.63) DYRK1AMKNK1MKNK2NOS3NOS2
Hydrochloric Acid SCHEMBL10461111 0.97 DYRK1A (0.61) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL30337203 0.95 DYRK1A (0.70) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL29733143 0.90 DYRK1A (0.60) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL4411668 0.90 DYRK1A (0.60) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL1836488 0.88 DYRK1A (0.58) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL29432628 0.88 DYRK1A (0.58) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL15649966 0.88 DYRK1A (0.63) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL1159709 0.86 DYRK1A (0.56) DYRK1AMKNK1MKNK2NOS3NOS2
SCHEMBL17632269 0.86 DYRK1A (0.54) DYRK1AMKNK1MKNK2NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO claimed
US-7553809-B2 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2009-06-30 US disclosed
US-20060057144-A1 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2006-03-16 US disclosed
US-6835753-B2 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED (AU) 2004-12-28 US disclosed
EP-1109545-A4 Fc RECEPTOR MODULATORS AND USES THEREOF ILEXUS PTY LTD (AU) 2004-11-10 EP disclosed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO disclosed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO disclosed
US-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED 2002-05-23 US disclosed
US-6355683-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE ILEXUS PTY LIMITED (AU) 2002-03-12 US disclosed
EP-1109545-A1 Fc RECEPTOR MODULATORS AND USES THEREOF ILEXUS PTY LTD (AU) 2001-06-27 EP disclosed
WO-2000015214-A1 Fc RECEPTOR MODULATORS AND USES THEREOF ILEXUS PTY LIMITED (US) 2000-03-23 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 (2 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-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt FCGR2A, FCGR1A, FCER2 DYRK1A 916/4885MKNK1 4549/4885MKNK2 4624/4885
US-20060057144-A1 Fc receptor modulators and uses thereof FCGR1A, FCER2, FCGR2A DYRK1A 1974/4885MKNK1 3596/4885MKNK2 3452/4885

“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.