Sugi Predict

Sugi Predict / Compounds / SCHEMBL1242033

SCHEMBL1242033

SCHEMBL1242033

NC(=O)c1cncc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.65
▸ MKNK2 Q9HBH9 3/20 0.65
▸ ALDH1A1 P00352 4/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ DDO Q99489 1/20 0.63
▸ HCAR2 Q8TDS4 6/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SIRT2 Q8IXJ6 3/20 0.47
▸ SIRT1 Q96EB6 3/20 0.47
▸ SIRT3 Q9NTG7 3/20 0.47
▸ F7 P08709 1/20 0.47
▸ F3 P13726 1/20 0.47
▸ SARM1 Q6SZW1 1/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47

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
SCHEMBL2841794 0.91 SIRT2 (0.54) MKNK1MKNK2ALDH1A1KDM4EMEN1
SCHEMBL51830 0.88 HCAR2 (0.70) MKNK1MKNK2ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL1117746 0.85 HCAR2 (0.67) MKNK1MKNK2ALDH1A1KDM4EMEN1
Bromide SCHEMBL21332093 0.85 HCAR2 (0.67) MKNK1MKNK2ALDH1A1KDM4EMEN1
Fluoride SCHEMBL21331909 0.85 HCAR2 (0.67) MKNK1MKNK2ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7661020 0.85 HCAR2 (0.67) MKNK1MKNK2ALDH1A1KDM4EMEN1
SCHEMBL19987838 0.85 HCAR2 (0.67) MKNK1MKNK2ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7124062 0.85 HCAR2 (0.67) MKNK1MKNK2ALDH1A1KDM4EMEN1
SCHEMBL20206172 0.80 CHRNB2 (0.63) MKNK1MKNK2ALDH1A1KDM4EMEN1
SCHEMBL4477190 0.80 MKNK1 (0.66) MKNK1MKNK2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 — — US disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 — — EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 — — US disclosed
CN-107108597-B Dopamine D3 receptor antagonist compounds 英立维尔英国有限公司 2020-04-17 — — CN disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 — — US disclosed
US-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 — — US disclosed
US-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS INDIVIOR UK LIMITED (GB) 2018-10-04 — — US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 — — US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 — — US disclosed
EP-3212637-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS Indivior UK Limited (GB) 2017-09-06 — — EP disclosed
CN-107108597-A Dopamine D3 receptor antagonist compounds 英立维尔英国有限公司 2017-08-29 — — CN disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 — — WO disclosed
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 — — CN disclosed
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 — — EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 — — US disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 — — EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 — — 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 (7 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-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS DRD3, DRD2, DRD4 MKNK1 1017/4885MKNK2 913/4885ALDH1A1 1179/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 MKNK1 1002/4885MKNK2 853/4885ALDH1A1 1368/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 MKNK1 1002/4885MKNK2 853/4885ALDH1A1 1368/4885
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK MKNK1 184/4885MKNK2 177/4885ALDH1A1 2113/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 MKNK1 1002/4885MKNK2 853/4885ALDH1A1 1368/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 MKNK1 1002/4885MKNK2 853/4885ALDH1A1 1368/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 MKNK1 1017/4885MKNK2 913/4885ALDH1A1 1179/4885

“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.