SCHEMBL6669028

SCHEMBL6669028

O=C(NCc1ccc(Cl)cc1)c1nnc2c(C#CCO)cc(CC3CCOCC3)cc2c1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
MAPT P10636 1/20 0.34
POLA1 P09884 1/20 0.34
KCNH2 Q12809 1/20 0.34
CCR2 P41597 1/20 0.33

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
SCHEMBL6669974 0.94 MAPK1 (0.37) MAPK1ALDH1A1KMT2AGAAEGLN1
SCHEMBL6667328 0.92 MAPK1 (0.37) MAPK1ALDH1A1KMT2AGAAEGLN1
SCHEMBL6669484 0.90 MAPK1 (0.36) MAPK1KMT2AGAAEGLN1POLA1
SCHEMBL6669978 0.88 MAPK1 (0.38) MAPK1ALDH1A1KMT2AGAAEGLN1
SCHEMBL6667340 0.87 PTGER4 (0.34) MAPK1KMT2AEGLN1
SCHEMBL6694192 0.86 CACNA1C (0.33) MAPK1KMT2AEGLN1POLA1KCNH2
SCHEMBL6667336 0.85 KCNH2 (0.48) ALDH1A1MAPTPOLA1KCNH2
SCHEMBL6670944 0.84 NPC1 (0.33) MAPK1ALDH1A1KMT2AGAAEGLN1
SCHEMBL6695866 0.84 NPC1 (0.33) MAPK1ALDH1A1KMT2AGAAEGLN1
SCHEMBL6670947 0.84 NPC1 (0.33) MAPK1ALDH1A1KMT2AGAAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US claimed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US claimed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO claimed
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US disclosed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 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-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 MAPK1 4363/4885ALDH1A1 2845/4885KMT2A 1290/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 MAPK1 737/4885ALDH1A1 638/4885KMT2A 4702/4885

“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.