SCHEMBL20814518

SCHEMBL20814518

CC(C)Nc1nc(NCC2CC2)nc(C2=CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.38
IDH2 P48735 1/20 0.38
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
TPH1 P17752 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32
MDM2 Q00987 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20814224 0.91 IDH1 (0.43) IDH1IDH2TPH1ADAMTS5HRH4
SCHEMBL24054475 0.89 IDH1 (0.41) IDH1IDH2
SCHEMBL20814511 0.87 IDH1 (0.41) IDH1IDH2TPH1ADAMTS5HRH4
SCHEMBL23431579 0.85 GAA (0.41) IDH1GAAALDH1A1KCNH3TDP1
SCHEMBL20814439 0.84 POLB (0.48) CA1CA2CA9GAAPOLB
SCHEMBL20814462 0.83 IDH2 (0.39) IDH1IDH2TPH1ALDH1A1
SCHEMBL20814424 0.82 IDH1 (0.36) IDH1IDH2TPH1HRH4ALDH1A1
SCHEMBL23431736 0.81 GAA (0.42) IDH1GAAALDH1A1KCNH3TDP1
SCHEMBL24054759 0.80 POLB (0.49) GAAPOLBALDH1A1
SCHEMBL20814517 0.78 IDH1 (0.36) IDH1IDH2

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-20210363115-A2 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2021-11-25 US disclosed
US-20210163426-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2021-06-03 US disclosed
WO-2019047909-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2019-03-14 WO 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 (2 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-20210363115-A2 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE CYP4F11, CYP11B1, CYP11B2 IDH1 605/4885IDH2 1181/4885CA1 1478/4885
US-20210163426-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE CYP4F11, CYP11B1, CYP11B2 IDH1 980/4885IDH2 1937/4885CA1 1623/4885

“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.