SCHEMBL3961904

SCHEMBL3961904

CNC(=O)c1cccc2sc(-c3nc(NCCCN4CCNCC4C)ncc3Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.38
ALK Q9UM73 9/20 0.38
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
FGFR1 P11362 3/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNK O75909 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
PAK1 Q13153 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAP4K1 Q92918 1/20 0.34
INSR P06213 1/20 0.34

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
SCHEMBL3961902 1.00 MET (0.38) METALKFLT3MERTKGAS6
SCHEMBL4079576 0.93 MERTK (0.40) FLT3MERTKGAS6FGFR1CCNT1
Hydrochloric Acid SCHEMBL3965516 0.92 MERTK (0.40) FLT3MERTKGAS6FGFR1CCNT1
Hydrochloric Acid SCHEMBL3965432 0.92 MERTK (0.40) FLT3MERTKGAS6FGFR1CCNT1
SCHEMBL3967576 0.92 FLT3 (0.37) METALKFLT3MERTKGAS6
SCHEMBL3967583 0.92 FLT3 (0.37) METALKFLT3MERTKGAS6
SCHEMBL4094730 0.92 FLT3 (0.37) METALKFLT3MERTKGAS6
SCHEMBL3967868 0.89 TYRO3 (0.40) FLT3MERTKGAS6FGFR1CCNT1
Hydrochloric Acid SCHEMBL4084075 0.88 PAK1 (0.38) METALKFGFR1PAK1
Hydrochloric Acid SCHEMBL4084071 0.88 PAK1 (0.38) METALKFGFR1PAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 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 (1 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG MET 3822/4885ALK 1243/4885FLT3 706/4885

“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.