SCHEMBL22971309

SCHEMBL22971309

c1cnc2ccc(Nc3cnccn3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD11B1 P28845 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KDR P35968 2/20 0.39
IRAK4 Q9NWZ3 4/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
PDPK1 O15530 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 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
SCHEMBL22095740 0.83 PDGFRB (0.59) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL1702524 0.82 NCF1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL22971096 0.80 PIK3CA (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL22971216 0.77 MAPK1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL27100335 0.77 PDGFRB (0.50) MAPK1HSD11B1PDGFRBPDGFRACHEK1
SCHEMBL27097211 0.76 KARS1 (0.52) MAPK8MAPK9KDRMAP4K4CLK2
SCHEMBL22906622 0.76 KDM4E (0.43) MAPK10HSD11B1PDGFRBPDGFRAIRAK4
SCHEMBL1703340 0.75 ABCB1 (0.52) PIK3CAMAPK8ALDH1A1MEN1KMT2A
SCHEMBL27956694 0.75 PDGFRB (0.66) MAPK1PDGFRBPDGFRACHEK1PDPK1
SCHEMBL5787755 0.74 KDR (0.47) KDRCHEK1CHEK2JAK2JAK1

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.