SCHEMBL6288581

SCHEMBL6288581

Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)cnc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.53
POLA1 P09884 2/20 0.53
PDE1B Q01064 1/20 0.52
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 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
SCHEMBL6695780 0.86 KCNH2 (0.55) KCNH2POLA1ALDH1A1TSHRMEN1
SCHEMBL7590247 0.86 POLA1 (0.60) KCNH2POLA1ALDH1A1TSHRMEN1
SCHEMBL6283724 0.85 RXFP1 (0.43) KCNH2POLA1ALDH1A1RXFP1MEN1
SCHEMBL6699742 0.85 POLA1 (0.59) KCNH2POLA1ALDH1A1TSHRMEN1
SCHEMBL6695445 0.84 POLA1 (0.61) KCNH2POLA1ALDH1A1TSHRMEN1
SCHEMBL6697394 0.84 POLA1 (0.59) KCNH2POLA1ALDH1A1TSHRMEN1
SCHEMBL7590238 0.84 POLA1 (0.61) KCNH2POLA1ALDH1A1TSHRMEN1
SCHEMBL6286426 0.83 KCNH2 (0.52) KCNH2POLA1ALDH1A1TSHRRXFP1
SCHEMBL6692158 0.82 POLA1 (0.55) KCNH2POLA1ALDH1A1TSHRMEN1
SCHEMBL6287506 0.81 KCNH2 (0.72) KCNH2POLA1ALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US claimed
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
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP claimed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US claimed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO 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 4095/4885POLA1 2447/4885PDE1B 2787/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885PDE1B 4640/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885PDE1B 4640/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885PDE1B 4640/4885

“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.