SCHEMBL19769120

SCHEMBL19769120

CC(=O)c1cc2c(C)cncc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 16/20 0.58
▸ SELE P16581 16/20 0.58
▸ CCNC P24863 2/20 0.53
▸ CDK8 P49336 2/20 0.53
▸ VCAM1 P19320 7/20 0.47
▸ PLK4 O00444 2/20 0.44
▸ AURKA O14965 2/20 0.44
▸ DAPK3 O43293 2/20 0.44
▸ CHEK2 O96017 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ PRKACA P17612 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ MAPK9 P45984 2/20 0.44
▸ CSNK1D P48730 2/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ CSNK2A1 P68400 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44

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
SCHEMBL24721595 0.86 PLK4 (0.59) ICAM1SELECCNCCDK8VCAM1
SCHEMBL15518133 0.85 ICAM1 (0.67) ICAM1SELECCNCCDK8VCAM1
SCHEMBL18105584 0.81 ICAM1 (0.53) ICAM1SELECCNCCDK8VCAM1
SCHEMBL19769163 0.75 GSK3A (0.79) ICAM1SELECCNCCDK8VCAM1
SCHEMBL7059444 0.74 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL19769134 0.73 ICAM1 (0.46) ICAM1SELECCNCCDK8VCAM1
SCHEMBL19769122 0.73 GSK3A (0.63) ICAM1SELECCNCCDK8PLK4
SCHEMBL19769127 0.71 MAP3K8 (0.81) ICAM1SELECCNCCDK8VCAM1
SCHEMBL19769184 0.71 GSK3A (0.56) ICAM1SELECCNCCDK8VCAM1
SCHEMBL19769123 0.71 GSK3A (0.53) ICAM1SELECCNCCDK8VCAM1

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 1 patent. 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

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 ICAM1 65/4885SELE 751/4885CCNC 3598/4885

“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.

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