SCHEMBL6669690

SCHEMBL6669690

O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(CN3CCOCC3)cc2c1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.50
RXFP1 Q9HBX9 1/20 0.49
POLA1 P09884 2/20 0.48
ALDH1A1 P00352 1/20 0.45
F10 P00742 1/20 0.44
MLLT1 Q03111 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 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
SCHEMBL6201283 0.89 KCNH2 (0.54) KCNH2RXFP1POLA1ALDH1A1F10
SCHEMBL6667005 0.88 KCNH2 (0.51) KCNH2RXFP1POLA1ALDH1A1F10
SCHEMBL6665763 0.85 KCNH2 (0.54) KCNH2RXFP1POLA1ALDH1A1F10
SCHEMBL6716949 0.84 RXFP1 (0.49) KCNH2RXFP1POLA1ALDH1A1MLLT1
SCHEMBL6713757 0.83 EGLN1 (0.51) KCNH2POLA1ALDH1A1MLLT1NPC1
SCHEMBL6707995 0.82 KCNH2 (0.61) KCNH2RXFP1POLA1ALDH1A1F10
SCHEMBL6717307 0.82 RXFP1 (0.49) KCNH2RXFP1POLA1ALDH1A1MLLT1
SCHEMBL6723020 0.81 KCNH2 (0.47) KCNH2RXFP1POLA1ALDH1A1FLT3
SCHEMBL6202555 0.81 RXFP1 (0.49) KCNH2RXFP1POLA1ALDH1A1MLLT1
SCHEMBL6200011 0.80 KCNH2 (0.53) KCNH2RXFP1POLA1ALDH1A1F10

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-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 US claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US claimed
EP-1363907-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP claimed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US claimed
WO-2002004443-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
US-6730682-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-05-04 US disclosed
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
EP-1363907-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP disclosed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US disclosed
WO-2002004443-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (3 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-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 KCNH2 4095/4885RXFP1 47/4885POLA1 2447/4885
US-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885RXFP1 3897/4885POLA1 267/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885RXFP1 3897/4885POLA1 267/4885

“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.