SCHEMBL4298450

SCHEMBL4298450

Cc1c[nH]c2ncnc(N3CCCCC3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.64
KHK P50053 1/20 0.63
LRRK2 Q5S007 5/20 0.62
STK3 Q13188 3/20 0.62
CDC7 O00311 1/20 0.62
ROS1 P08922 1/20 0.62
KIT P10721 1/20 0.62
MARK3 P27448 1/20 0.62
FLT3 P36888 1/20 0.62
CDK8 P49336 1/20 0.62
MAP2K1 Q02750 1/20 0.62
MAP3K10 Q02779 1/20 0.62
MELK Q14680 1/20 0.62
MARK4 Q96L34 1/20 0.62
CAMKK2 Q96RR4 1/20 0.62
SIK2 Q9H0K1 1/20 0.62
CAMK2A Q9UQM7 1/20 0.62
STK4 Q13043 2/20 0.54
LIMK2 P53671 4/20 0.54
JAK3 P52333 1/20 0.51

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
SCHEMBL18967255 0.86 STK4 (0.70) AKT1LRRK2STK3STK4
SCHEMBL9966954 0.84 AKT1 (0.85) AKT1KHKKITLIMK2
SCHEMBL3955185 0.83 LRRK2 (0.63) AKT1LRRK2STK3CDC7ROS1
Hydrochloric Acid SCHEMBL15456486 0.82 AKT1 (0.82) AKT1KHKKITLIMK2
Hydrochloric Acid SCHEMBL21979540 0.82 AKT1 (0.82) AKT1KHKKITLIMK2
SCHEMBL3960587 0.82 STK3 (0.80) LRRK2STK3CDC7ROS1KIT
SCHEMBL18967632 0.82 KHK (0.71) AKT1KHKLRRK2JAK3
SCHEMBL9967041 0.81 AKT1 (0.68) AKT1KHKLRRK2STK3STK4
SCHEMBL3536069 0.81 AKT1 (0.69) AKT1LRRK2STK3CDC7ROS1
SCHEMBL3536255 0.81 LRRK2 (0.58) AKT1KHKLRRK2STK3CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450332-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-12-27 US disclosed
US-8193202-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-10-22 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 (2 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-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 AKT1 156/4885KHK 1580/4885LRRK2 145/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 AKT1 156/4885KHK 1580/4885LRRK2 145/4885

“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.