SCHEMBL6692811

SCHEMBL6692811

Cc1nc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2cc1CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.51
POLA1 P09884 2/20 0.50
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6699267 0.85 MAPK1 (0.42) RXFP1ALDH1A1TSHR
SCHEMBL6202555 0.82 RXFP1 (0.49) KCNH2POLA1RXFP1ALDH1A1
SCHEMBL6201283 0.81 KCNH2 (0.54) KCNH2POLA1RXFP1ALDH1A1
SCHEMBL6200655 0.81 KCNH2 (0.48) KCNH2POLA1RXFP1ALDH1A1
SCHEMBL6606941 0.80 POLA1 (0.53) KCNH2POLA1RXFP1ALDH1A1TSHR
SCHEMBL6200011 0.80 KCNH2 (0.53) KCNH2POLA1RXFP1ALDH1A1
SCHEMBL6726994 0.80 KCNH2 (0.55) KCNH2POLA1RXFP1ALDH1A1TSHR
SCHEMBL6770778 0.80 KCNH2 (0.53) KCNH2POLA1RXFP1ALDH1A1TSHR
SCHEMBL6707995 0.80 KCNH2 (0.61) KCNH2POLA1RXFP1ALDH1A1TSHR
SCHEMBL6669690 0.80 KCNH2 (0.50) KCNH2POLA1RXFP1ALDH1A1FLT3

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 10 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-1265896-A1 4-HYDROXY-1,8-NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
US-6413958-B2 FOR TREATMENT/PREVENTION OF INFECTION OF HERPES SIMPLEX VIRUS, VARICELLA ZOSTER VIRUS, HUMAN CYTOMEGALOVIRUS, OR EPSTEIN-BARR VIRUS; ENZYME INHIBITORS PHARMACIA & UPJOHN COMPANY 2002-07-02 US claimed
US-20020007066-A1 4-hydroxy-1,8-naphthyridine-3-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US claimed
WO-2001070742-A1 4-HYDROXY-1,8-NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO claimed
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US disclosed
EP-1265896-A1 4-HYDROXY-1,8-NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
US-6413958-B2 FOR TREATMENT/PREVENTION OF INFECTION OF HERPES SIMPLEX VIRUS, VARICELLA ZOSTER VIRUS, HUMAN CYTOMEGALOVIRUS, OR EPSTEIN-BARR VIRUS; ENZYME INHIBITORS PHARMACIA & UPJOHN COMPANY 2002-07-02 US disclosed
US-20020007066-A1 4-hydroxy-1,8-naphthyridine-3-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US disclosed
WO-2001070742-A1 4-HYDROXY-1,8-NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 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-20020007066-A1 4-hydroxy-1,8-naphthyridine-3-carboxamides as antiviral agents CNR1, HAVCR2, NR1H4 KCNH2 2146/4885POLA1 849/4885RXFP1 2426/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 KCNH2 4046/4885POLA1 2850/4885RXFP1 153/4885

“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.