SCHEMBL3966705

SCHEMBL3966705

CNC(=O)c1cccc2sc(-c3nc(NCCC4CCNCC4)ncc3Br)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CHRM1 P11229 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MERTK Q12866 3/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
TYRO3 Q06418 3/20 0.34
FLT3 P36888 1/20 0.34
GAS6 Q14393 1/20 0.34
CNR2 P34972 1/20 0.33
BRD4 O60885 1/20 0.33
FGFR1 P11362 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK1 O14757 1/20 0.32

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
SCHEMBL3965664 0.95 MERTK (0.36) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL3961579 0.92 TYRO3 (0.39) CHRM1PIM1PIM2MERTKITGB3
Hydrochloric Acid SCHEMBL3970352 0.90 GSK3B (0.36) CCNT1CDK2CDK9MERTKTYRO3
Hydrochloric Acid SCHEMBL3965419 0.88 BDKRB1 (0.35) CCNT1CDK2CDK9MERTKTYRO3
SCHEMBL3966290 0.88 TYRO3 (0.41) MERTKTYRO3FLT3GAS6CHEK1
SCHEMBL3961626 0.87 MERTK (0.36) CCNT1CCNKCCNE1CDK2CDK9
Hydrochloric Acid SCHEMBL3965606 0.85 HRH4 (0.40) CCNT1CDK2CDK9MERTKTYRO3
SCHEMBL3961594 0.84 TYRO3 (0.40) CHRM1MERTKTYRO3FLT3GAS6
Hydrochloric Acid SCHEMBL3965827 0.83 DRD3 (0.41) CCNT1CDK2CDK9MERTKTYRO3
SCHEMBL3961504 0.82 TYRO3 (0.40) CCNT1CCNKCCNE1CDK2CDK9

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 CCNT1 1256/4885CCNK 493/4885CCNE1 1280/4885

“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.