SCHEMBL6288994

SCHEMBL6288994

O=C(NCc1ccc(Cl)cc1)c1nnc2ccc(C#CCO)cn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.46
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 2/20 0.39
EGLN2 Q96KS0 1/20 0.38
PTGER4 P35408 1/20 0.38
CLK1 P49759 1/20 0.38
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
SCHEMBL6334722 0.83 ABCB1 (0.45) ABCB1CNR1EGLN2
SCHEMBL6289000 0.83 CLK1 (0.45) MAPTCLK1
SCHEMBL6288995 0.81 GAA (0.41) ABCB1GAAMAPTCLK1MEN1
SCHEMBL6288691 0.78 MEN1 (0.40) ABCB1CLK1MEN1KMT2A
SCHEMBL6284326 0.78 CYP1A2 (0.41) ABCB1MAPTMEN1KMT2A
SCHEMBL6288991 0.74 MLLT1 (0.55) MAPT
SCHEMBL6285943 0.74 RXFP1 (0.46) MAPT
SCHEMBL6286276 0.72 SMN1; SMN2 (0.44) MAPTCLK1
SCHEMBL6690680 0.71 SMN1; SMN2 (0.44) ABCB1MAPTPTGER4KMT2A
SCHEMBL6669962 0.70 EGLN1 (0.44) ABCB1EGLN2

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 14 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
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
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004444-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 (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 ABCB1 2209/4885GAA 1869/4885MAPT 4880/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ABCB1 2146/4885GAA 1182/4885MAPT 4388/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ABCB1 2146/4885GAA 1182/4885MAPT 4388/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ABCB1 2146/4885GAA 1182/4885MAPT 4388/4885

“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.