SCHEMBL14010085

SCHEMBL14010085

CNc1c(NC)n(C)c(=O)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
MAP3K5 Q99683 1/20 0.33
ADORA2A P29274 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CD O00329 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
NTSR1 P30989 1/20 0.31
MC3R P41968 1/20 0.31
NOTUM Q6P988 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
GDA Q9Y2T3 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
LGMN Q99538 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
SCHEMBL19036435 0.78 ALDH1A1 (0.34) KMT2AALDH1A1LMNACYP2C19
SCHEMBL13435346 0.77 KMT2A (0.38) KMT2AMAP3K5ADORA2ALMNACYP2C19
SCHEMBL2271737 0.76 ALDH1A1 (0.34) POLBKMT2AADORA2AALDH1A1LMNA
SCHEMBL19375505 0.75 PDE4A (0.33) ALDH1A1LMNAADORA2B
SCHEMBL15330060 0.72 AOC3 (0.35) POLBKMT2AALDH1A1CYP2C19KDM4E
SCHEMBL19969557 0.72
SCHEMBL19375482 0.72
SCHEMBL22311189 0.71 ALDH1A1 (0.31) KMT2AALDH1A1LMNA
SCHEMBL18119896 0.69 TNF (0.49) LMNAACHEADORA2B
SCHEMBL18119894 0.65 KDM4E (0.38) KMT2AADORA2AALDH1A1LMNAADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634434-B2 Bifunctional alpha-synuclein binding agents and uses thereof UNIVERSITY OF SASKATCHEWAN (CA) 2023-04-25 US disclosed
US-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2020-02-27 US disclosed
WO-2018045464-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2018-03-15 WO disclosed
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
WO-2016159745-A1 ETHYNYLXANTHINES, PREPARATION AND USE FOR CANCER TREATMENT LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2016159747-A1 ETHYNYLXANTHINES, PREPARATION AND USE AS CALCIUM ION CHANNEL MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2016159746-A1 NOVEL ETHYNYLXANTHINES, THEIR PREPARATION AND USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AND ANGIOGENESIS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-10-06 WO disclosed
WO-2008156451-A1 N-HETEROCYCLIC CARBENE METALLACYCLE CATALYSTS AND METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-12-24 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-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF SNCA, PARK7, SYNJ2 POLB 931/4885KMT2A 4377/4885MAP3K5 4558/4885
US-11634434-B2 Bifunctional alpha-synuclein binding agents and uses thereof SNCA, PARK7, SYNJ2 POLB 931/4885KMT2A 4377/4885MAP3K5 4558/4885

“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.