SCHEMBL2212684

SCHEMBL2212684

NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nccnc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.64
PRKD3 O94806 1/20 0.64
PRKD1 Q15139 1/20 0.64
PRKD2 Q9BZL6 1/20 0.64
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
ACVR1B P36896 9/20 0.44
ACVRL1 P37023 8/20 0.44
ACVR1 Q04771 2/20 0.44
BMPR1A P36894 1/20 0.44
NUDT1 P36639 1/20 0.43
BUB1 O43683 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL14516423 0.87 TGFBR1 (0.51) TGFBR1PRKD3PRKD1PRKD2FLT1
SCHEMBL2491506 0.87 TGFBR1 (0.54) TGFBR1PRKD3PRKD1PRKD2MAPK9
SCHEMBL5551403 0.86 TGFBR1 (0.74) TGFBR1PRKD3PRKD1PRKD2FLT1
SCHEMBL5954510 0.84 TGFBR1 (0.59) TGFBR1MAPK9MAPK10ACVR1BACVRL1
SCHEMBL2125433 0.83 TGFBR1 (0.70) TGFBR1PRKD3PRKD1PRKD2FLT1
SCHEMBL2128393 0.83 TGFBR1 (0.66) TGFBR1PRKD3PRKD1PRKD2FLT1
SCHEMBL5954799 0.83 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL2127316 0.81 TGFBR1 (0.63) TGFBR1PRKD3PRKD1PRKD2FLT1
SCHEMBL17816391 0.81 TGFBR1 (0.51) TGFBR1PRKD3PRKD1PRKD2FLT1
SCHEMBL8347154 0.81 TGFBR1 (0.70) TGFBR1ACVR1BACVRL1ACVR1BMPR1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869037-B1 HETEROBICYLIC INHIBITORS OF HVC TIBOTEC PHARM LTD (IE) 2011-07-27 EP claimed
US-20080182863-A1 Fused Bicyclic Inhibitors of Hcv TIBOTEC BVBA (BE) 2008-07-31 US claimed
EP-1869037-A1 HETEROBICYLIC INHIBITORS OF HVC Tibotec Pharmaceuticals Ltd. (IE) 2007-12-26 EP claimed
WO-2006100310-A1 HETEROBICYLIC INHIBITORS OF HCV TIBOTEC PHARMACEUTICALS LTD (IE) 2006-09-28 WO claimed
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
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-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS, INC. 2007-12-20 US disclosed
US-7232824-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2007-06-19 US disclosed
US-7232824-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2007-06-19 US disclosed
US-7232824-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2007-06-19 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
US-20050096333-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-05-05 US disclosed
WO-2005032481-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2005-04-14 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-20080182863-A1 Fused Bicyclic Inhibitors of Hcv HAVCR2, GTF3C4, CUL4A TGFBR1 3950/4885PRKD3 4022/4885PRKD1 4348/4885
US-20050096333-A1 Quinazoline derivatives as medicaments HRH4, HRH2, HRH3 TGFBR1 70/4885PRKD3 3011/4885PRKD1 3332/4885
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta TGFBR1, TGFB1, SMAD2 TGFBR1 1/4885PRKD3 3166/4885PRKD1 3999/4885
US-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SMAD3, SMAD2, TGFB2 TGFBR1 8/4885PRKD3 1661/4885PRKD1 2216/4885

“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.