SCHEMBL3970084

SCHEMBL3970084

Cc1cnc(NCCCN2CCN(C)CC2)nc1-c1cc2ccc(N)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 11/20 0.45
SRC P12931 7/20 0.44
EGFR P00533 4/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
KDR P35968 2/20 0.39
MAPK8 P45983 1/20 0.38
CSF1R P07333 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
SCHEMBL3961623 0.90 FGFR1 (0.50) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3962134 0.88 FGFR1 (0.40) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3963837 0.88 FGFR1 (0.44) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3963641 0.86 FGFR1 (0.45) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3965368 0.86 FGFR1 (0.42) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3958563 0.85 FGFR1 (0.42) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3964488 0.84 LCK (0.43) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3961979 0.84 ICAM1 (0.45) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3967077 0.84 BRD4 (0.41) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3961541 0.83 FGFR1 (0.39) FGFR1SRCEGFRFGFR2FGFR4

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 2268/4885SRC 576/4885EGFR 1805/4885

“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.