SCHEMBL22970844

SCHEMBL22970844

COc1cnc(Nc2cnccn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
POLB P06746 2/20 0.40
HTR3A P46098 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
BTK Q06187 1/20 0.36
CHEK1 O14757 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HPGD P15428 2/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL22971378 0.81 BRAF (0.41) KDM4EPOLBALDH1A1SMN1; SMN2LYN
SCHEMBL22970756 0.79 CA12 (0.43) KDM4EPOLBALDH1A1SMN1; SMN2LYN
SCHEMBL22970747 0.78 CHEK1 (0.43) KDM4EPOLBHTR3AALDH1A1SMN1; SMN2
SCHEMBL5787755 0.78 KDR (0.47) KDM4EALDH1A1SMN1; SMN2CHEK1HPGD
SCHEMBL22970748 0.77 MAPK1 (0.40) KDM4EPOLBALDH1A1SMN1; SMN2LYN
SCHEMBL22971351 0.76 ALDH1A1 (0.42) KDM4EHTR3AALDH1A1SMN1; SMN2LYN
SCHEMBL391812 0.74
SCHEMBL13359011 0.74 MAPT (0.45) KDM4EPOLBSMN1; SMN2SIRT6MEN1
SCHEMBL29445963 0.74
SCHEMBL12122448 0.74 NOS3 (0.38) HTR3ASIRT6MEN1KMT2ATYK2

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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 KDM4E 581/4885POLB 2046/4885HTR3A 931/4885

“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.