SCHEMBL3961602

SCHEMBL3961602

O=C(NC1CC1)c1cccc2sc(-c3nc(NCCCN4CCNCC4)ncc3Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.42
EGFR P00533 3/20 0.42
FGFR2 P21802 2/20 0.42
FGFR4 P22455 2/20 0.42
FGFR3 P22607 2/20 0.42
TYRO3 Q06418 9/20 0.42
AXL P30530 4/20 0.41
MERTK Q12866 7/20 0.39
FLT3 P36888 6/20 0.39
GAS6 Q14393 4/20 0.39
DRD4 P21917 2/20 0.38
SRC P12931 1/20 0.38
CHEK1 O14757 1/20 0.37
IKBKB O14920 1/20 0.37
AURKA O14965 1/20 0.37
PAK4 O96013 1/20 0.37
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37

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
Hydrochloric Acid SCHEMBL3969445 0.99 FGFR1 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3965442 0.95 TYRO3 (0.42) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL4073584 0.92 FGFR1 (0.49) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3970123 0.92 FGFR1 (0.46) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3961798 0.92 FGFR1 (0.49) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL4084184 0.92 FGFR1 (0.49) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3961599 0.91 FGFR1 (0.44) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3964622 0.91 FGFR1 (0.40) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL4079945 0.90 TYRO3 (0.40) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3969220 0.90 TYRO3 (0.39) FGFR1EGFRFGFR2FGFR4FGFR3

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 FGFR1 2268/4885EGFR 1805/4885FGFR2 1907/4885

“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.