SCHEMBL20155734

SCHEMBL20155734

Cc1nc(C)c(C#N)nc1N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 3/20 0.33
ADRA2A P08913 1/20 0.33
ADORA2A P29274 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
USP8 P40818 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9860848 0.82 CHEK1 (0.33) KDM4EALDH1A1HTTGAAUSP8
SCHEMBL9797708 0.79 CHEK1 (0.32) KDM4ELMNA
SCHEMBL30177373 0.76 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10ADRA2AADORA2A
SCHEMBL13196099 0.76 USP8 (0.34) KDM4EALDH1A1HSD17B10ADRA2AADORA2A
SCHEMBL23886092 0.76 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10ADRA2AADORA2A
SCHEMBL17768569 0.74 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10ADRA2AADORA2A
SCHEMBL25095772 0.74 ALDH1A1 (0.34) KDM4EALDH1A1HSD17B10ADRA2AADORA2A
SCHEMBL507982 0.73 USP8 (0.44) KDM4EALDH1A1HTTGAAUSP8
SCHEMBL137039 0.73 USP8 (0.35) KDM4EALDH1A1HSD17B10HTTHPGD
SCHEMBL29437694 0.73 USP8 (0.35) KDM4EALDH1A1HSD17B10HTTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (3 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885ALDH1A1 4827/4885HSD17B10 2692/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885ALDH1A1 4827/4885HSD17B10 2692/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 KDM4E 391/4885ALDH1A1 4827/4885HSD17B10 2692/4885

“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.