SCHEMBL6286720

SCHEMBL6286720

Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2nc(CN3CCOCC3)ncc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLA1 P09884 2/20 0.51
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
F2 P00734 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6280210 0.86 KCNH2 (0.61) KCNH2MEN1KMT2APOLA1TP53
SCHEMBL6280316 0.83 KCNH2 (0.67) KCNH2MEN1KMT2APOLA1TP53
SCHEMBL6288532 0.81 MAPT (0.46) MEN1KMT2A
SCHEMBL6288599 0.80 KCNH2 (0.70) KCNH2MEN1KMT2APOLA1
SCHEMBL30372497 0.80 MEN1 (0.73) KCNH2MEN1KMT2APOLA1TP53
SCHEMBL6699690 0.80 MEN1 (0.73) KCNH2MEN1KMT2APOLA1TP53
SCHEMBL6717307 0.79 RXFP1 (0.49) KCNH2POLA1RXFP1ALDH1A1
SCHEMBL6478861 0.78 KCNH2 (0.75) KCNH2MEN1KMT2APOLA1TP53
SCHEMBL6696197 0.78 MEN1 (0.70) KCNH2MEN1KMT2APOLA1TP53
SCHEMBL6840599 0.77 KCNH2 (0.68) KCNH2MEN1KMT2APOLA1TP53

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-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US claimed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US claimed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US claimed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US claimed
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (4 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 4095/4885MEN1 2651/4885KMT2A 4576/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885MEN1 2250/4885KMT2A 993/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885MEN1 2250/4885KMT2A 993/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885MEN1 2250/4885KMT2A 993/4885

“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.