SCHEMBL3962474

SCHEMBL3962474

O=C(NC1CC1)c1cccc2sc(-c3nc(NCCCC4CCNCC4)ncc3F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.41
MERTK Q12866 6/20 0.41
AXL P30530 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
FLT3 P36888 5/20 0.38
GAS6 Q14393 4/20 0.38
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
PTK2 Q05397 3/20 0.36
ACP1 P24666 2/20 0.35
NTRK1 P04629 1/20 0.35
CCND1 P24385 1/20 0.35
CDK6 Q00534 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL3964106 0.91 TYRO3 (0.41) TYRO3MERTKAXLFLT3GAS6
SCHEMBL3966290 0.91 TYRO3 (0.41) TYRO3MERTKAXLL3MBTL1FLT3
SCHEMBL3958520 0.91 TYRO3 (0.43) TYRO3MERTKAXLFLT3GAS6
Hydrochloric Acid SCHEMBL3965521 0.90 TYRO3 (0.41) TYRO3MERTKAXLFLT3GAS6
Hydrochloric Acid SCHEMBL3965318 0.89 CDK1 (0.45) TYRO3MERTKAXLL3MBTL1FLT3
Hydrochloric Acid SCHEMBL4079945 0.87 TYRO3 (0.40) TYRO3MERTKAXLL3MBTL1FLT3
SCHEMBL3961504 0.86 TYRO3 (0.40) TYRO3MERTKAXLFLT3GAS6
SCHEMBL3961594 0.86 TYRO3 (0.40) TYRO3MERTKAXLL3MBTL1FLT3
SCHEMBL3961579 0.86 TYRO3 (0.39) TYRO3MERTKAXLL3MBTL1FLT3
Hydrochloric Acid SCHEMBL3966674 0.85 TYRO3 (0.40) TYRO3MERTKAXLFLT3GAS6

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 TYRO3 456/4885MERTK 802/4885AXL 1561/4885

“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.