SCHEMBL3969362

SCHEMBL3969362

Cc1cnc(NCCC2CCN(C(=O)OC(C)(C)C)CC2)nc1-c1cc2c(C(=O)NC3CC3)cccc2s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
MERTK Q12866 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
PARP1 P09874 1/20 0.40
TP53 P04637 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
GPR119 Q8TDV5 2/20 0.38

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
SCHEMBL3966644 0.92 LMNA (0.42) MAPTPOLBMERTKMEN1KMT2A
SCHEMBL3971646 0.92 MERTK (0.41) MAPTPOLBMERTKMEN1KMT2A
Hydrochloric Acid SCHEMBL3962016 0.89 TYRO3 (0.41) MERTKCCNA2CDK2
SCHEMBL4085216 0.88 GPR119 (0.43) POLBMERTKGPR119
SCHEMBL3961594 0.85 TYRO3 (0.40) MERTKKMT2A
Hydrochloric Acid SCHEMBL3966320 0.85 HRH4 (0.43) MERTKCCNA2CDK2
SCHEMBL3964036 0.83 POLB (0.38) MAPTPOLBMERTKMEN1KMT2A
Hydrochloric Acid SCHEMBL4083666 0.83 FLT3 (0.42) MERTK
SCHEMBL3961848 0.82 LMNA (0.41) MAPTPOLBMERTKMEN1KMT2A
SCHEMBL4085203 0.82 ACKR3 (0.42) POLBMERTKLMNATP53

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 MAPT 2245/4885POLB 432/4885MERTK 802/4885

“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.