SCHEMBL4404446

SCHEMBL4404446

CCn1nc(C)c2cc(C)cnc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.50
ADORA2B P29275 3/20 0.50
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
SPR P35270 4/20 0.36
NR3C1 P04150 3/20 0.34
POLB P06746 2/20 0.34
XDH P47989 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 2/20 0.32
PGR P06401 1/20 0.32
PTGER4 P35408 1/20 0.31
GRM4 Q14833 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
SCHEMBL11542434 0.80 ADORA2A (0.45) ADORA2AADORA2BKMT2AL3MBTL1SPR
SCHEMBL11545260 0.80 ADORA2A (0.45) ADORA2AADORA2BKMT2AL3MBTL1SPR
Hydrochloric Acid SCHEMBL11881444 0.79 ADORA2A (0.44) ADORA2AADORA2BKMT2AL3MBTL1SPR
SCHEMBL11541422 0.78 SPR (0.46) ADORA2AADORA2BKMT2AL3MBTL1SPR
SCHEMBL11129400 0.77 ADORA2A (0.41) ADORA2AADORA2BKMT2AL3MBTL1SPR
SCHEMBL4409862 0.76 SPR (0.50) ADORA2AADORA2BSPRNR3C1POLB
SCHEMBL11875375 0.75 KMT2A (0.55) KMT2ASPRPOLBHTTSMN1; SMN2
SCHEMBL13562830 0.71 L3MBTL1 (0.67) ADORA2AADORA2BL3MBTL1HTTSMN1; SMN2
SCHEMBL31457141 0.69 SPR (0.46) KMT2AL3MBTL1SPRNR3C1LMNA
SCHEMBL14521067 0.69 ADORA2A (0.65) ADORA2AADORA2BKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 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 (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-20120277174-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 ADORA2A 2439/4885ADORA2B 1893/4885KMT2A 2566/4885
US-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B ADORA2A 2894/4885ADORA2B 2198/4885KMT2A 2755/4885

“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.