SCHEMBL6694399

SCHEMBL6694399

Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CC3CCOCC3)cc(C#Cc3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ABCB1 P08183 6/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
THRB P10828 2/20 0.39
POLA1 P09884 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 2/20 0.37
PTGER4 P35408 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6694017 0.90 POLA1 (0.40) MAPTALDH1A1THRBPOLA1SMN1; SMN2
SCHEMBL6668075 0.90 ABCB1 (0.38) MAPTABCB1ALDH1A1POLBPKM
SCHEMBL6694556 0.88 POLA1 (0.41) MAPTTHRBPOLA1SMN1; SMN2KCNH2
SCHEMBL6670559 0.87 POLA1 (0.42) MAPTTHRBPOLA1SMN1; SMN2KCNH2
SCHEMBL6695580 0.85 ALDH1A1 (0.43) MAPTABCB1ALDH1A1POLBPKM
SCHEMBL6695578 0.83 ABCB1 (0.40) MAPTABCB1ALDH1A1POLBPKM
SCHEMBL6691688 0.83 POLA1 (0.36) MAPTABCB1THRBPOLA1SMN1; SMN2
SCHEMBL6691685 0.83 POLA1 (0.36) MAPTABCB1THRBPOLA1SMN1; SMN2
SCHEMBL7080399 0.82 ABCB1 (0.37) MAPTABCB1ALDH1A1POLBPKM
SCHEMBL6700225 0.82 POLA1 (0.35) MAPTTHRBPOLA1KCNH2MEN1

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-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US claimed
EP-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 EP claimed
US-6624160-B2 Especially infections of herpes simplex virus type 1, 2, 6, 7, or 8, varicella zoster virus, human cytomegalovirus or epstein-Barr virus; enzyme inhibitors of virus DNA polymerase PHARMACIA & UPJOHN CO. 2003-09-23 US claimed
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-18 US claimed
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US disclosed
EP-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 EP disclosed
US-6624160-B2 Especially infections of herpes simplex virus type 1, 2, 6, 7, or 8, varicella zoster virus, human cytomegalovirus or epstein-Barr virus; enzyme inhibitors of virus DNA polymerase PHARMACIA & UPJOHN CO. 2003-09-23 US disclosed
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-18 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 (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-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, EIF2AK2 MAPT 4784/4885ABCB1 810/4885ALDH1A1 575/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 MAPT 4862/4885ABCB1 2132/4885ALDH1A1 638/4885

“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.