SCHEMBL3961731

SCHEMBL3961731

CN1CCN(CCCNc2ncc(Br)c(-c3cc4cccc(Cl)c4s3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 20/20 0.51
EGFR P00533 4/20 0.51
SRC P12931 4/20 0.51
FGFR2 P21802 2/20 0.51
FGFR4 P22455 2/20 0.51
FGFR3 P22607 2/20 0.51
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 1/20 0.45

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 SCHEMBL3964159 0.89 FGFR1 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3964127 0.85 FGFR1 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3970200 0.85 FGFR1 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3964419 0.84 FGFR1 (0.50) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3961990 0.83 FGFR1 (0.49) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3966578 0.80 FGFR1 (0.50) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3964652 0.79 FGFR1 (0.45) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3965524 0.79 SLC2A1 (0.42) FGFR1EGFRSRCFGFR2FGFR4
Hydrochloric Acid SCHEMBL3965201 0.79 SLC2A1 (0.38) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3963789 0.78 FGFR1 (0.46) FGFR1EGFRSRCFGFR2FGFR4

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 1805/4885SRC 576/4885

“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.