SCHEMBL19769166

SCHEMBL19769166

NC(=O)c1sc2cncc(N3CCC(C(N)=O)CC3)c2c1N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.48
CDK8 P49336 8/20 0.47
CYP3A4 P08684 1/20 0.46
CDK19 Q9BWU1 2/20 0.38
CHUK O15111 2/20 0.38
EPHA3 P29320 2/20 0.38
NTRK1 P04629 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL19769153 0.86 CDK8 (0.56) IKBKBCDK8CDK19
SCHEMBL19769165 0.85 CDK8 (0.58) IKBKBCDK8CDK19
SCHEMBL19769156 0.83 IKBKB (0.47) IKBKBCDK8CDK19
SCHEMBL19769168 0.83 IKBKB (0.51) IKBKBCDK8CYP3A4CDK19
SCHEMBL19769189 0.81 CDK8 (0.43) IKBKBCDK8CDK19
SCHEMBL19769124 0.81 CDK8 (0.43) IKBKBCDK8CDK19
SCHEMBL19769126 0.81 CDK8 (0.43) IKBKBCDK8CDK19
SCHEMBL19769119 0.81 CDK8 (0.44) IKBKBCDK8CDK19
SCHEMBL19769170 0.79 CDK8 (0.46) IKBKBCDK8CDK19
SCHEMBL19769121 0.78 CDK8 (0.41) IKBKBCDK8CDK19

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 IKBKB 1036/4885CDK8 1366/4885CYP3A4 309/4885
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 IKBKB 1036/4885CDK8 1366/4885CYP3A4 309/4885

“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.