SCHEMBL4895245

SCHEMBL4895245

COc1cc(Nc2c(C#N)cnc3sc(C#CCN4CCN(C)CC4)cc23)c(Cl)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.78
EGFR P00533 3/20 0.62
FYN P06241 4/20 0.60
ABL1 P00519 3/20 0.60
ABL2 P42684 2/20 0.60
STK25 O00506 1/20 0.60
CIT O14578 1/20 0.60
RIOK3 O14730 1/20 0.60
MAP2K7 O14733 1/20 0.60
CHEK1 O14757 1/20 0.60
CASK O14936 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60
MAP3K13 O43283 1/20 0.60
MAP3K7 O43318 1/20 0.60
RIPK2 O43353 1/20 0.60
NUAK1 O60285 1/20 0.60
JAK2 O60674 1/20 0.60
ROCK2 O75116 1/20 0.60
ULK1 O75385 1/20 0.60

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
SCHEMBL4898902 0.87 SRC (1.00) SRCEGFRFYNABL1ABL2
SCHEMBL4904290 0.78 SRC (0.68) SRCABL1BCR
SCHEMBL29385888 0.77 SRC (1.00) SRCEGFRFYNABL1ABL2
SCHEMBL4961809 0.77 SRC (1.00) SRCEGFRFYNABL1ABL2
SCHEMBL4902209 0.76 SRC (0.73) SRCABL1BCR
SCHEMBL4893605 0.76 SRC (0.66) SRCABL1BCR
SCHEMBL677073 0.76 SRC (0.92) SRCEGFRFYNABL1ABL2
SCHEMBL30453317 0.76 SRC (0.92) SRCEGFRFYNABL1ABL2
SCHEMBL3218806 0.75 SRC (0.85) SRCEGFRFYNABL1ERBB2
SCHEMBL15787879 0.75 SRC (0.85) SRCEGFRFYNABL1ABL2

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-20080070913-A1 Thieno [ 3,2-b] pyridine-6-carbonitriles and thieno [2,3-b] pyridine-5-carbonitriles as protein kinase inhibitors BOSCHELLI DIANE H 2008-03-20 US claimed
US-6987116-B2 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH (US) 2006-01-17 US claimed
EP-1565474-A2 THIENO[3,2-B]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2005-08-24 EP claimed
WO-2004048386-A9 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2005-07-14 WO claimed
US-20040138251-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2004-07-15 US claimed
WO-2004048386-A2 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH (US) 2004-06-10 WO claimed
US-20080070913-A1 Thieno [ 3,2-b] pyridine-6-carbonitriles and thieno [2,3-b] pyridine-5-carbonitriles as protein kinase inhibitors BOSCHELLI DIANE H 2008-03-20 US disclosed
US-7276519-B2 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH (US) 2007-10-02 US disclosed
US-6987116-B2 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH (US) 2006-01-17 US disclosed
EP-1565474-A2 THIENO[3,2-B]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2005-08-24 EP disclosed
WO-2004048386-A9 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2005-07-14 WO disclosed
US-20040242883-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2004-12-02 US disclosed
US-20040138251-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2004-07-15 US disclosed
WO-2004048386-A2 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH (US) 2004-06-10 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 (3 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-20080070913-A1 Thieno [ 3,2-b] pyridine-6-carbonitriles and thieno [2,3-b] pyridine-5-carbonitriles as protein kinase inhibitors PKN2, TNNI3K, PKN1 SRC 242/4885EGFR 447/4885FYN 161/4885
US-20040242883-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors PKN2, PTK2B, PKN1 SRC 189/4885EGFR 565/4885FYN 175/4885
US-20040138251-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors PTK2B, PKD1, PKN1 SRC 184/4885EGFR 297/4885FYN 150/4885

“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.