SCHEMBL3468178

SCHEMBL3468178

NC(=O)c1nccnc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.50
MAP2K3 P46734 1/20 0.46
SLC22A12 Q96S37 1/20 0.45
IKBKB O14920 2/20 0.45
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CDC7 O00311 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
LMNA P02545 1/20 0.42
BCAT2 O15382 1/20 0.41
ATR Q13535 1/20 0.41
PDE10A Q9Y233 1/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
PLAU P00749 2/20 0.41

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
SCHEMBL1340669 0.84 KDM4E (0.53) SLC22A12KDM4EALDH1A1LMNAPDE10A
SCHEMBL30668220 0.82 MKNK1 (0.54) IKBKBALDH1A1LMNACYP3A4CYP2C19
SCHEMBL30665107 0.82 MKNK1 (0.54) IKBKBALDH1A1LMNACYP3A4CYP2C19
SCHEMBL2228105 0.82 MKNK1 (0.54) IKBKBALDH1A1LMNACYP3A4CYP2C19
SCHEMBL28049210 0.81 NR3C2 (0.40) IKBKBCDC7LMNACYP3A4CYP2C19
SCHEMBL10419666 0.81 KDM4E (0.50) SLC22A12KDM4EALDH1A1LMNAPDE10A
SCHEMBL30280438 0.81 SLC22A12 (0.49) SLC22A12KDM4EALDH1A1LMNAPDE10A
SCHEMBL28990934 0.81 WDR5 (0.44) SLC22A12KDM4EKMT2AALDH1A1LMNA
SCHEMBL30388533 0.81 WDR5 (0.44) SLC22A12KDM4EKMT2AALDH1A1LMNA
SCHEMBL25245065 0.80 GAA (0.50) SLC22A12KDM4EMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-09-22 US disclosed
US-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 US disclosed
US-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 US disclosed
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2017-09-14 US disclosed
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2015-11-05 US disclosed
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (5 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-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MAP2K3 2461/4885SLC22A12 2416/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 ADORA2A 2022/4885MAP2K3 3894/4885SLC22A12 3818/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 ADORA2A 2022/4885MAP2K3 3894/4885SLC22A12 3818/4885
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MAP2K3 2461/4885SLC22A12 2416/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 ADORA2A 2460/4885MAP2K3 3506/4885SLC22A12 4064/4885

“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.