SCHEMBL10183072

SCHEMBL10183072

CC(C)(C)OC(=O)N1CCn2c(C(C)(C)C)cnc2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.47
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
PDK2 Q15119 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL31569288 0.91 NR1H2 (0.46) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL19005602 0.91 NR1H2 (0.46) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL17790245 0.85 P2RX7 (0.48) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL31568967 0.84 P2RX7 (0.47) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL13575643 0.84 NR1H2 (0.47) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL601417 0.84 P2RX7 (0.47) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL10007648 0.84 P2RX7 (0.51) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL10183064 0.83 PDK2 (0.43) PDK2ATM
SCHEMBL28887447 0.83 NR1H2 (0.49) NR1H2MAPTPOLBESR2CKS1B
SCHEMBL17788667 0.82 NR1H2 (0.45) NR1H2MAPTPOLBESR2CKS1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF NR1H2 621/4885MAPT 4105/4885POLB 2646/4885

“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.