SCHEMBL3964488

SCHEMBL3964488

COC(=O)c1ccc2cc(-c3nc(NCCCN4CCN(C)CC4)ncc3C)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
FGFR1 P11362 11/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FGFR2 P21802 5/20 0.40
FGFR4 P22455 5/20 0.40
FGFR3 P22607 5/20 0.40
EGFR P00533 3/20 0.40
SRC P12931 2/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
HTR7 P34969 1/20 0.40
TP53 P04637 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPK8 P45983 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
SCHEMBL3965368 0.92 FGFR1 (0.42) LCKFGFR1FGFR2FGFR4FGFR3
SCHEMBL3964101 0.91 FGFR1 (0.46) FGFR1FGFR2FGFR4FGFR3EGFR
Hydrochloric Acid SCHEMBL3958563 0.91 FGFR1 (0.42) LCKFGFR1FGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3963641 0.90 FGFR1 (0.45) LCKFGFR1FGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3961979 0.89 ICAM1 (0.45) LCKFGFR1FGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3971783 0.86 TYRO3 (0.40) LCKFGFR1FGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3970424 0.84 LCK (0.42) LCKFGFR1MEN1KMT2AFGFR2
SCHEMBL3970084 0.84 FGFR1 (0.45) FGFR1FGFR2FGFR4FGFR3EGFR
Hydrochloric Acid SCHEMBL3962134 0.84 FGFR1 (0.40) FGFR1FGFR2FGFR4FGFR3EGFR
Hydrochloric Acid SCHEMBL3965659 0.83 LCK (0.43) LCKFGFR1EGFRSRCICAM1

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 LCK 175/4885FGFR1 2268/4885MEN1 3407/4885

“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.