SCHEMBL17344796

SCHEMBL17344796

CC(C)C1=C(C(C)C)c2ccccc2CN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDC25A P30304 4/20 0.33
CDC25B P30305 4/20 0.33
HTR5A P47898 2/20 0.33
PARP1 P09874 2/20 0.33
PDPK1 O15530 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
TYRO3 Q06418 1/20 0.32
NTRK2 Q16620 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN1 P18031 2/20 0.31
METAP2 P50579 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL17344764 0.81 PARP1 (0.50) CA12CA9PARP1PDPK1PARP10
SCHEMBL17344770 0.79 PDPK1 (0.40) PARP1PDPK1PARP10PARP11GAA
SCHEMBL17344788 0.74 NOS2 (0.33) CDC25ACDC25B
SCHEMBL17344765 0.73 ACHE (0.35) CDC25ACDC25B
SCHEMBL17344773 0.70 KDM4E (0.36) CA12CA9CDC25ACDC25BPTPN1
SCHEMBL3371700 0.69 CA12 (0.56) CA12CA9ALOX15HSD17B10HTR5A
SCHEMBL24221635 0.68 CA12 (0.70) CA12CA9PARP1PDPK1PARP10
SCHEMBL17344772 0.68 ALOX15 (0.34) CA12CA9ALOX15HSD17B10HTR5A
SCHEMBL17344792 0.68 GAA (0.50) CA12CA9ALOX15HSD17B10HTR5A
SCHEMBL23349317 0.68 CA12 (0.70) CA12CA9PARP1PDPK1PARP10

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-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA CA12 4880/4885CA9 4838/4885ALOX15 3858/4885

“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.