SCHEMBL848265

SCHEMBL848265

CC(C)Cn1cnc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
PDE4D Q08499 2/20 0.36
LMNA P02545 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
ADORA2A P29274 1/20 0.36
ADRA1A P35348 1/20 0.36
NUDT1 P36639 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 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
SCHEMBL9265326 0.78
SCHEMBL866826 0.76
SCHEMBL31144872 0.73 KDM4E (0.56) POLBMAPTPKMNPC1RAB9A
SCHEMBL31144985 0.73 POLB (0.37) POLBMAPTNPSR1PKMNPC1
SCHEMBL15722722 0.72 MAPT (0.53) POLBMAPTNPSR1PKMSMN1; SMN2
SCHEMBL8957634 0.71
SCHEMBL13273348 0.71
SCHEMBL9324883 0.71 MAPT (0.51) POLBMAPTNPSR1PKMMEN1
SCHEMBL183219 0.70 HDAC1 (0.50) LMNACCNE1CDK2SLC29A1TP53
SCHEMBL15722777 0.69 PKM (0.45) POLBMAPTNPSR1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 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 (4 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885MAPT 1650/4885NPSR1 1775/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885MAPT 1650/4885NPSR1 1775/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 POLB 3520/4885MAPT 1650/4885NPSR1 1775/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 POLB 2484/4885MAPT 4786/4885NPSR1 1182/4885

“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.