SCHEMBL2210869

SCHEMBL2210869

CNC(=O)c1cnccc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.47
▸ NUDT1 P36639 1/20 0.46
▸ CYP17A1 P05093 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ ACVR1B P36896 2/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ ACVRL1 P37023 2/20 0.39
▸ BRS3 P32247 1/20 0.39

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
SCHEMBL933049 0.86 KDM4C (0.46) NAMPTCYP17A1RXFP1METAP1ATR
SCHEMBL12190376 0.86 NAMPT (0.49) NAMPTCYP17A1RXFP1METAP1ATR
SCHEMBL5551442 0.84 SIRT3 (0.47) NAMPTCYP17A1RXFP1METAP1ATR
SCHEMBL950258 0.84 ATR (0.53) NAMPTCYP17A1ATRRAB9AIDO1
SCHEMBL28764741 0.83 NAMPT (0.44) NAMPTCYP17A1RXFP1METAP1ATR
SCHEMBL18522430 0.82 NAMPT (0.50) NAMPTCYP17A1METAP1ATRRAB9A
SCHEMBL2107971 0.80 NAMPT (0.48) NAMPTCYP17A1METAP1ATRRAB9A
SCHEMBL3666785 0.80 NAMPT (0.48) NAMPTCYP17A1METAP1ATRRAB9A
SCHEMBL15919261 0.79 NAMPT (0.41) NAMPTCYP17A1RXFP1METAP1ATR
SCHEMBL16676647 0.78 KDM4C (0.58) NUDT1

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-8030318-B2 e.g. 4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido-[2,3-d]pyrimidin-4-ylamino]-nicotinic acid; viricide; transforming growth factor-beta inhibitor; hepatitis C infection; fibroproliferative conditions: fibrosis, glomerulonephritis, diabetic nephropathy, and certain cancers TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-04 — — US disclosed
US-8030318-B2 e.g. 4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido-[2,3-d]pyrimidin-4-ylamino]-nicotinic acid; viricide; transforming growth factor-beta inhibitor; hepatitis C infection; fibroproliferative conditions: fibrosis, glomerulonephritis, diabetic nephropathy, and certain cancers TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-04 — — US disclosed
US-8030318-B2 e.g. 4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido-[2,3-d]pyrimidin-4-ylamino]-nicotinic acid; viricide; transforming growth factor-beta inhibitor; hepatitis C infection; fibroproliferative conditions: fibrosis, glomerulonephritis, diabetic nephropathy, and certain cancers TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-04 — — US disclosed
EP-1869037-B1 HETEROBICYLIC INHIBITORS OF HVC TIBOTEC PHARM LTD (IE) 2011-07-27 — — EP disclosed
EP-1869037-B1 HETEROBICYLIC INHIBITORS OF HVC TIBOTEC PHARM LTD (IE) 2011-07-27 — — EP disclosed
US-20080182863-A1 Fused Bicyclic Inhibitors of Hcv TIBOTEC BVBA (BE) 2008-07-31 — — US disclosed
US-20080182863-A1 Fused Bicyclic Inhibitors of Hcv TIBOTEC BVBA (BE) 2008-07-31 — — US disclosed
US-20080182863-A1 Fused Bicyclic Inhibitors of Hcv TIBOTEC BVBA (BE) 2008-07-31 — — US disclosed
EP-1869037-A1 HETEROBICYLIC INHIBITORS OF HVC Tibotec Pharmaceuticals Ltd. (IE) 2007-12-26 — — EP disclosed
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta SCIOS, INC. (US) 2007-03-22 — — US disclosed
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta SCIOS, INC. (US) 2007-03-22 — — US disclosed
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta SCIOS, INC. (US) 2007-03-22 — — US disclosed
WO-2006100310-A1 HETEROBICYLIC INHIBITORS OF HCV TIBOTEC PHARMACEUTICALS LTD (IE) 2006-09-28 — — 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-20080182863-A1 Fused Bicyclic Inhibitors of Hcv HAVCR2, GTF3C4, CUL4A NAMPT 265/4885NUDT1 26/4885CYP17A1 4363/4885
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta TGFBR1, TGFB1, SMAD2 NAMPT 1376/4885NUDT1 217/4885CYP17A1 3037/4885

“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.

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