SCHEMBL19769229

SCHEMBL19769229

COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(N)=O)sc3n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.82
IKBKB O14920 5/20 0.71
CDK8 P49336 1/20 0.69
CDK19 Q9BWU1 1/20 0.69
MAPT P10636 6/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
PIM1 P11309 4/20 0.58
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
RCE1 Q9Y256 1/20 0.53
KDR P35968 1/20 0.52
USP2 O75604 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
BRAF P15056 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
SCHEMBL4204752 0.92 IKBKB (0.78) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL430576 0.90 LIMK1 (1.00) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL19769213 0.89 IKBKB (0.77) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL4198643 0.88 MAPT (0.85) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL4193493 0.83 IKBKB (1.00) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL12562468 0.83 LIMK1 (0.72) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL19769223 0.83 MAPT (0.93) LIMK1IKBKBMAPTMEN1KMT2A
SCHEMBL430610 0.82 LIMK1 (0.74) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL431028 0.82 CDK8 (1.00) LIMK1IKBKBCDK8CDK19MAPT
SCHEMBL12562463 0.81 LIMK1 (0.84) LIMK1IKBKBCDK8CDK19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 LIMK1 2745/4885IKBKB 1036/4885CDK8 1366/4885

“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.