SCHEMBL316760

SCHEMBL316760

C#CCn1c(=O)n(C)c(=O)c2c1ncn2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 1.00
BLM P54132 2/20 0.79
GLA P06280 1/20 0.79
ADORA2A P29274 4/20 0.67
PDE4A P27815 3/20 0.67
PDE4B Q07343 3/20 0.67
PDE4C Q08493 3/20 0.67
PDE4D Q08499 3/20 0.67
PIK3CD O00329 1/20 0.59
POLB P06746 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CNR1 P21554 1/20 0.59
ACHE P22303 1/20 0.59
ADORA1 P30542 1/20 0.59
NTSR1 P30989 1/20 0.59
MC3R P41968 1/20 0.59
NOTUM Q6P988 1/20 0.59
SIRT3 Q9NTG7 1/20 0.59
GDA Q9Y2T3 1/20 0.59
NR2E1 Q9Y466 1/20 0.59

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
SCHEMBL44805 0.88 ADORA2B (1.00) ADORA2BBLMGLAADORA2APDE4A
SCHEMBL16093733 0.82 ADORA2A (0.70) ADORA2BBLMGLAADORA2APDE4A
SCHEMBL16697212 0.81 ADORA2A (0.79) ADORA2BBLMGLAADORA2APDE4A
SCHEMBL4145707 0.80 ADORA2A (0.77) ADORA2BBLMGLAADORA2APDE4A
SCHEMBL21381247 0.80 PDE4A (1.00) ADORA2BBLMADORA2APDE4APDE4B
SCHEMBL5463424 0.80 ADORA2A (0.72) ADORA2BBLMGLAADORA2APDE4A
SCHEMBL8861588 0.79 PDE4A (0.75) ADORA2BBLMADORA2APDE4APDE4B
SCHEMBL16192700 0.79 ADORA2B (0.68) ADORA2BBLMGLAADORA2APDE4A
SCHEMBL22342560 0.78 ADORA2B (0.77) ADORA2BBLMGLAADORA2APDE4A
SCHEMBL23974594 0.78 ADORA2A (0.68) ADORA2BBLMGLAADORA2APDE4A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193201-B2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS, LLC (US) 2012-06-05 US claimed
US-20110172253-A1 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2011-07-14 US claimed
EP-2338481-A2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines Metaproteomics, LLC (US) 2011-06-29 EP claimed
US-7914831-B2 Alpha acids, isoalpha acids, reduced isoalpha acids, tetra-hydroisoalpha acids, hexa-hydroisoalpha acids, beta acids from hops; nontoxic METAPROTEOMICS, LLC (US) 2011-03-29 US claimed
US-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2007-08-09 US claimed
EP-1718312-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES Metaproteomics, LLC (US) 2006-11-08 EP claimed
WO-2005084230-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2005-09-15 WO claimed
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2005-09-01 US claimed
US-20160128943-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS KVK-Tech, Inc. (US) 2016-05-12 US disclosed
EP-1718312-B1 Pharmaceutical compositions comprising hops extract derivatives and caffeine METAPROTEOMICS LLC (US) 2015-03-25 EP disclosed
WO-2014197601-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS KVK-Tech, Inc. (US) 2014-12-11 WO disclosed
EP-1915156-B1 USE OF PSYCHOMOTOR STIMULANTS AND COMPOSITIONS CONTAINING THEM IN A METHOD OF TREATING PARTURIENT PLACENTAL MAMMALS IN ORDER TO REDUCE MATERNAL AND/OR UTERINE EXHAUSTION PROVIMI HOLDING B V (NL) 2012-07-11 EP disclosed
US-8193201-B2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS, LLC (US) 2012-06-05 US disclosed
US-8092846-B2 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS, LLC (US) 2012-01-10 US disclosed
US-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2007-08-09 US disclosed
CN-1946409-A Synergistic anti-inflammatory pharmaceutical compositions and related methods of using curcuminoids or methylxanthines METAPROTEOMICS LLC (US) 2007-04-11 CN disclosed
WO-2007021189-A2 METHOD OF TREATING PARTURIENT PLACENTAL MAMMALS IN ORDER TO REDUCE MATERNAL AND/OR UTIRINE EXHAUSTION PROVIMI HOLDING B.V. (NL) 2007-02-22 WO disclosed
EP-1718312-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES Metaproteomics, LLC (US) 2006-11-08 EP disclosed
WO-2005084230-A2 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES METAPROTEOMICS, LLC (US) 2005-09-15 WO disclosed
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines WHITEHORSE CAPITAL ORIGINATION, LLC, AS AGENT 2005-09-01 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 (4 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-20070185213-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS ADORA2B 1339/4885BLM 3909/4885GLA 3687/4885
US-20160128943-A1 CONTROLLED RELEASE CAFFEINE DOSAGE FORMS SLC18A1, RYR1, SLC6A2 ADORA2B 130/4885BLM 926/4885GLA 2904/4885
US-20110172253-A1 SYNERGISTIC ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS USING CURCUMINOIDS OR METHYLXANTHINES HMOX1, HMOX2, HPGDS ADORA2B 1339/4885BLM 3909/4885GLA 3687/4885
US-20050191375-A1 Synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines HMOX1, HMOX2, HPGDS ADORA2B 1339/4885BLM 3909/4885GLA 3687/4885

“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.