SCHEMBL6868442

SCHEMBL6868442

CCCn1c(=O)c2[nH]c(N3CCCC3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 1.00
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ADORA2A P29274 4/20 0.59
ADORA2B P29275 4/20 0.59
GMNN O75496 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
TSHR P16473 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
SIRT1 Q96EB6 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
SIRT5 Q9NXA8 1/20 0.58

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
SCHEMBL9122257 0.99 ADORA1 (1.00) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL7028224 0.93 ADORA1 (0.87) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL7028598 0.92 ADORA1 (0.88) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL8836691 0.88 ADORA1 (0.79) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL10815381 0.81 ADORA1 (0.67) ADORA1MEN1KMT2ATSHRSIRT1
SCHEMBL7025747 0.78 ADORA1 (0.64) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL7025779 0.77 ADORA1 (0.65) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL7032150 0.76 ADORA1 (0.64) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL1063544 0.76 SIRT1 (0.68) ADORA1MEN1KMT2AADORA2AADORA2B
SCHEMBL9546979 0.76 SIRT1 (0.68) ADORA1MEN1KMT2AADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815446-B1 ADMINISTERING 8-AMINO-XANTHINE DERIVATIVE AS ANTIASTHMATIC OR ANTIDIARRHEA AGENT VANDERBILT UNIVERSITY 2004-11-09 US disclosed
US-6806270-B2 XANTHINE DERIVATIVES, SUCH AS 3-ISOBUTYL-8-PYRROLIDINYLXANTHINE; TREATING ASTHMA, DIARRHEA, ETC. VANDERBILT UNIVERSITY 2004-10-19 US disclosed
US-20030087904-A1 Selective antagonists of A2B adenosine receptors VANDERBILT UNIVERSITY 2003-05-08 US disclosed
EP-1208100-B1 SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS UNIV VANDERBILT (US) 2003-04-02 EP 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-20030087904-A1 Selective antagonists of A2B adenosine receptors ADORA2B, ADORA1, ADORA2A ADORA1 2/4885MEN1 3952/4885KMT2A 1983/4885

“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.