SCHEMBL2494080

SCHEMBL2494080

Nc1ccc2c(Nc3ccncc3C(=O)NC3CC3)nc(-c3cc(Cl)ccc3F)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.57
CYP3A4 P08684 1/20 0.57
ACVR1B P36896 8/20 0.54
ACVRL1 P37023 7/20 0.54
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 1/20 0.42
NUDT1 P36639 1/20 0.42
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 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
SCHEMBL2211327 0.88 NUDT1 (0.56) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL2493823 0.83 TGFBR1 (0.60) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL12190439 0.83 TGFBR1 (0.60) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL2492437 0.82 TGFBR1 (0.48) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL12426207 0.80 TGFBR1 (0.57) TGFBR1CYP3A4ACVR1BACVRL1PIM1
SCHEMBL2206244 0.80 TGFBR1 (0.57) TGFBR1CYP3A4ACVR1BACVRL1PIM1
SCHEMBL8344359 0.80 TGFBR1 (0.59) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL8344363 0.79 TGFBR1 (0.63) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL13649377 0.79 TGFBR1 (0.57) TGFBR1CYP3A4ACVR1BACVRL1NUDT1
SCHEMBL3827835 0.79 TGFBR1 (0.59) TGFBR1CYP3A4ACVR1BACVRL1NUDT1

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-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 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
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

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 TGFBR1 3950/4885CYP3A4 104/4885ACVR1B 2630/4885
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta TGFBR1, TGFB1, SMAD2 TGFBR1 1/4885CYP3A4 2204/4885ACVR1B 11/4885

“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.