SCHEMBL22970748

SCHEMBL22970748

COc1ncc(Nc2cnccn2)nc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 6/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TYK2 P29597 1/20 0.36
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
BTK Q06187 1/20 0.36
CHEK1 O14757 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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 0.79 BRAF (0.41) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL22971103 0.77 CCNA2 (0.41) HTTRECQLKDM4EPOLBALDH1A1
SCHEMBL22970844 0.77 KDM4E (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5787755 0.77 KDR (0.47) KDM4EALDH1A1SMN1; SMN2TYK2CHEK1
SCHEMBL22970846 0.75 MAPK1 (0.42) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL22971224 0.75 ALDH1A1 (0.43) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL22971366 0.73 ALDH1A1 (0.41) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL16264733 0.72 KDR (0.51) MAPK1MAPK10KDM4EPOLBALDH1A1
SCHEMBL22970756 0.71 CA12 (0.43) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL22971351 0.71 ALDH1A1 (0.42) MAPK1PIK3CAMAPK8MAPK9MAPK10

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 MAPK1 1394/4885PIK3CA 4156/4885MAPK8 3519/4885

“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.