SCHEMBL5140656

SCHEMBL5140656

C=CC(N)c1cnc(N)c2nc[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
LMNA P02545 1/20 0.33
DRD3 P35462 1/20 0.33
XDH P47989 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PDPK1 O15530 1/20 0.32
GDA Q9Y2T3 1/20 0.32
CSNK2A2 P19784 2/20 0.31
CSNK2A1 P68400 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
CSNK2B P67870 1/20 0.31
KMT2A Q03164 1/20 0.31
DYRK1A Q13627 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 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
SCHEMBL5139045 0.74 ABL1 (0.32)
SCHEMBL17253699 0.68 CSNK2A1 (0.41) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL6879377 0.68 NOS3 (0.39) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL669639 0.67
SCHEMBL669640 0.67 PDPK1 (0.53) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL18072147 0.65 NOS3 (0.38) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL19227912 0.65 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL1798269 0.63
SCHEMBL2911657 0.63 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL18499429 0.62 PDPK1 (0.36) PI4KAPI4K2BPI4K2API4KBLMNA

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-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
WO-2005123079-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 PI4KA 384/4885PI4K2B 1011/4885PI4K2A 499/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 PI4KA 256/4885PI4K2B 433/4885PI4K2A 305/4885

“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.