SCHEMBL12755269

SCHEMBL12755269

CC(C)(C)c1cc2c(Br)cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.46
HRH4 Q9H3N8 1/20 0.41
KIF11 P52732 4/20 0.40
FLT3 P36888 1/20 0.39
ITK Q08881 1/20 0.39
NOS1 P29475 1/20 0.39
AXL P30530 1/20 0.39
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PSMB8 P28062 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GPR3 P46089 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCNE2 O96020 2/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 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
SCHEMBL30516379 0.81 KDM4E (0.54) AHRHRH4KIF11FLT3ITK
SCHEMBL993353 0.81 KDM4E (0.54) AHRHRH4KIF11FLT3ITK
SCHEMBL24974318 0.79 KIF11 (0.53) AHRKIF11KDM4ECYP1A2GAA
SCHEMBL15829262 0.79 DAO (0.50) KIF11FLT3KDM4ECYP1A2GAA
SCHEMBL31098173 0.79 GAA (0.50) AHRHRH4KIF11FLT3ITK
SCHEMBL598649 0.79 GAA (0.50) AHRHRH4KIF11FLT3ITK
SCHEMBL15829355 0.78 PARP1 (0.42) HRH4KIF11KDM4ECYP1A2GAA
SCHEMBL12755282 0.78 IMPDH2 (0.43) HRH4KIF11KDM4EALDH1A1
SCHEMBL15829264 0.78 DAO (0.49) HRH4KIF11FLT3NOS1KDM4E
SCHEMBL1464811 0.78 DAO (0.49) HRH4KIF11FLT3KDM4ECYP1A2

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
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 AHR 4345/4885HRH4 2592/4885KIF11 2818/4885

“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.