SCHEMBL3460031

SCHEMBL3460031

CCOC(=O)c1cc2c(N)cccn2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CA9 Q16790 1/20 0.41
ELANE P08246 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL28573813 0.84 SPR (0.47) SPRPOLBADORA3CYP1A2MAPT
SCHEMBL3459890 0.83 ADORA3 (0.48) SPRPOLBADORA3CYP1A2MAPT
SCHEMBL3459620 0.83 MAPT (0.47) SPRALDH1A1POLBADORA3CYP1A2
SCHEMBL18367334 0.81 GAA (0.48) SPRALDH1A1POLBHSD17B10ADORA3
SCHEMBL25348205 0.80 SPR (0.49) SPRALDH1A1POLBADORA3CYP1A2
SCHEMBL30540553 0.79 SPR (0.48) SPRALDH1A1POLBADORA3CYP1A2
SCHEMBL3459056 0.78 APOBEC3A (0.49) SPRALDH1A1MAPTKMT2AKDM4E
Trifluoroacetic Acid SCHEMBL30680968 0.77 ALDH1A1 (0.41) ALDH1A1POLBHSD17B10ADORA3MAPT
SCHEMBL4051803 0.76 TP53 (0.65) POLBHSD17B10MAPTTP53KDM4E
SCHEMBL25252763 0.74 MAPT (0.51) SPRALDH1A1POLBHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249143-A1 Compounds And Methods For Enhancing Innate Immune Responses GLAXOSMITHKLINE LLC (US) 2014-09-04 US disclosed
US-20140249143-A1 Compounds And Methods For Enhancing Innate Immune Responses GLAXOSMITHKLINE LLC (US) 2014-09-04 US disclosed
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
WO-2013059559-A2 COMPOUNDS AND METHODS FOR ENHANCING INNATE IMMUNE RESPONSES GLAXOSMITHKLINE LLC (US) 2013-04-25 WO disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US disclosed
WO-2008124153-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-10-16 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 (3 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-20140249143-A1 Compounds And Methods For Enhancing Innate Immune Responses MYD88, IRF3, MAVS SPR 3557/4885ALDH1A1 3000/4885POLB 1525/4885
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 SPR 3310/4885ALDH1A1 2338/4885POLB 4243/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 SPR 3276/4885ALDH1A1 2733/4885POLB 4411/4885

“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.