SCHEMBL22970747

SCHEMBL22970747

COc1cc(Nc2cnccn2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.43
CHEK2 O96017 1/20 0.43
KDM4E B2RXH2 7/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
JAK2 O60674 2/20 0.38
TYK2 P29597 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL12122415 0.78 CHEK1 (0.46) CHEK1CHEK2KDM4ENPC1RAB9A
SCHEMBL22970844 0.78 KDM4E (0.40) CHEK1KDM4ENPC1RAB9AKMT2A
SCHEMBL22971378 0.77 BRAF (0.41) CHEK1KDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL16264733 0.77 KDR (0.51) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL29545634 0.76 JAK2 (0.42) KDM4ENPC1RAB9AMAPTNFKB1
SCHEMBL22970756 0.75 CA12 (0.43) KDM4ENPC1RAB9AMAPTCYP2C19
SCHEMBL620795 0.75 CHEK1 (0.46) CHEK1CHEK2KDM4ENPC1RAB9A
SCHEMBL22970863 0.74 CHEK1 (0.43) CHEK1CHEK2KDM4ENPC1RAB9A
SCHEMBL5787755 0.74 KDR (0.47) CHEK1CHEK2KDM4ENPC1RAB9A
SCHEMBL22971311 0.72 CHEK1 (0.41) CHEK1CHEK2KDM4ENPC1RAB9A

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 CHEK1 981/4885CHEK2 1389/4885KDM4E 581/4885

“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.