SCHEMBL22627253

SCHEMBL22627253

Bc1cc(C(=O)NC)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.49
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC2 Q92769 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
THRB P10828 1/20 0.41
PLAU P00749 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RIPK1 Q13546 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39

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
SCHEMBL26415629 0.79 PLK1 (0.50) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL8566224 0.79 PLK1 (0.50) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL16572975 0.78 PLK1 (0.49) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL12900868 0.78 GABRP (0.61) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL31082091 0.78 TAS1R3 (0.55) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL23960659 0.78 KDM4E (0.60) KDM5AKDM4CKDM5BSMN1; SMN2HPGD
SCHEMBL13702396 0.78 TAS1R3 (0.55) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL22612088 0.78 PLK1 (0.49) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL7222069 0.78 PLK1 (0.49) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL5743063 0.78 TAS1R3 (0.55) PLK1HDAC8HDAC6HDAC2DDB1

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-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-11-05 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-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 PLK1 248/4885HDAC8 1977/4885HDAC6 901/4885

“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.