Sugi Predict

Sugi Predict / Compounds / SCHEMBL7020144

SCHEMBL7020144

SCHEMBL7020144

COc1ccnc(C)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ NTRK1 P04629 3/20 0.44
▸ PIM1 P11309 3/20 0.44
▸ NNMT P40261 3/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL17449219 0.84 CYP3A4 (0.43) KDM4EPOLBL3MBTL1IKBKBCA12
SCHEMBL4781208 0.83 PLK1 (0.41) POLBL3MBTL1CA12CA1CA2
SCHEMBL31150976 0.82 CA12 (0.41) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL17490709 0.82 IKBKB (0.50) KDM4EPOLBL3MBTL1CTDSP1TDP1
SCHEMBL7040741 0.82 IKBKB (0.50) KDM4EPOLBL3MBTL1CTDSP1TDP1
SCHEMBL16487053 0.81 FYN (0.47) POLBL3MBTL1IKBKBHSD17B10MKNK2
SCHEMBL31208519 0.81 KDM4E (0.46) KDM4EPOLBL3MBTL1CTDSP1TDP1
SCHEMBL31726010 0.81 KDM4E (0.46) KDM4EPOLBL3MBTL1CTDSP1TDP1
SCHEMBL17675087 0.79 POLB (0.42) KDM4EPOLBL3MBTL1CTDSP1TDP1
SCHEMBL27944963 0.78 PARP10 (0.46) POLBTDP1IKBKBNTRK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 — — WO claimed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 — — EP claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 — — WO claimed
WO-2021080330-A1 NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND 한국화학연구원 2021-04-29 — — WO disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 — — WO disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — 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 (1 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-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 KDM4E 2132/4885POLB 3862/4885L3MBTL1 3488/4885

“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.