SCHEMBL19769153

SCHEMBL19769153

NC(=O)c1sc2cncc(N3CCCC3)c2c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 12/20 0.56
IKBKB O14920 5/20 0.47
CDK19 Q9BWU1 6/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RCE1 Q9Y256 1/20 0.45
RIOK2 Q9BVS4 2/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
GSK3A P49840 1/20 0.41
HASPIN Q8TF76 1/20 0.41

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
SCHEMBL19769165 0.99 CDK8 (0.58) CDK8IKBKBCDK19KDM4EALDH1A1
SCHEMBL19769168 0.88 IKBKB (0.51) CDK8IKBKBCDK19KDM4EALDH1A1
SCHEMBL19769156 0.88 IKBKB (0.47) CDK8IKBKBCDK19KDM4EALDH1A1
SCHEMBL19769124 0.86 CDK8 (0.43) CDK8IKBKBCDK19KDM4EALDH1A1
SCHEMBL19769166 0.86 IKBKB (0.48) CDK8IKBKBCDK19
SCHEMBL19769189 0.86 CDK8 (0.43) CDK8IKBKBCDK19ALDH1A1RIOK2
SCHEMBL19769126 0.86 CDK8 (0.43) CDK8IKBKBCDK19KDM4EALDH1A1
SCHEMBL19769170 0.84 CDK8 (0.46) CDK8IKBKBCDK19ALDH1A1GAA
SCHEMBL19769121 0.83 CDK8 (0.41) CDK8IKBKBCDK19KDM4EALDH1A1
SCHEMBL19769208 0.80 MAPT (0.40) CDK8IKBKBCDK19KDM4EALDH1A1

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-10154992-B2 Compounds and methods for treating HIV infection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-12-18 US disclosed
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
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 (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-10154992-B2 Compounds and methods for treating HIV infection CD4, CCR5, MMP8 CDK8 1366/4885IKBKB 1036/4885CDK19 3399/4885
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 CDK8 1366/4885IKBKB 1036/4885CDK19 3399/4885

“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.