SCHEMBL3965641

SCHEMBL3965641

Cc1cnc(NCCN2CCNC[C@H]2C)nc1-c1cc2c(C(=O)NC3CC3)cccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.39
FLT3 P36888 3/20 0.39
GAS6 Q14393 2/20 0.39
TYRO3 Q06418 4/20 0.36
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTR3A P46098 1/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNT1 O60563 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CDK7 P50613 2/20 0.35
CDK9 P50750 2/20 0.35
CCNH P51946 2/20 0.35
BRD4 O60885 2/20 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
SCHEMBL4090204 0.96 MERTK (0.41) MERTKFLT3GAS6TYRO3LCK
Hydrochloric Acid SCHEMBL3965512 0.95 MERTK (0.40) MERTKFLT3GAS6TYRO3LCK
SCHEMBL3967868 0.92 TYRO3 (0.40) MERTKFLT3GAS6TYRO3LCK
SCHEMBL3967576 0.89 FLT3 (0.37) MERTKFLT3GAS6LCKCCNA2
SCHEMBL3967583 0.89 FLT3 (0.37) MERTKFLT3GAS6LCKCCNA2
SCHEMBL4094730 0.89 FLT3 (0.37) MERTKFLT3GAS6LCKCCNA2
SCHEMBL4079576 0.88 MERTK (0.40) MERTKFLT3GAS6TYRO3LCK
Hydrochloric Acid SCHEMBL3961896 0.88 TYRO3 (0.37) MERTKFLT3GAS6TYRO3LCK
Hydrochloric Acid SCHEMBL3965516 0.88 MERTK (0.40) MERTKFLT3GAS6TYRO3LCK
Hydrochloric Acid SCHEMBL3965432 0.88 MERTK (0.40) MERTKFLT3GAS6TYRO3LCK

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 MERTK 802/4885FLT3 706/4885GAS6 4259/4885

“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.