SCHEMBL21536492

SCHEMBL21536492

CC(C)c1cccc(CC(C)c2nc(CC(C)c3ccc(C#N)cn3)ccc2F)n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ MDM2 Q00987 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
SCHEMBL21536087 0.88 AURKA (0.33) AURKAGRK6MDM2
SCHEMBL21250137 0.73 ESR1 (0.32) —
SCHEMBL23776206 0.71 OPRD1 (0.37) —
SCHEMBL21393205 0.71 AURKA (0.32) HSD11B1AURKAGRK6
SCHEMBL2737290 0.68 ALDH1A1 (0.46) HSD11B1
SCHEMBL16311933 0.66 ALDH1A1 (0.41) AURKAGRK6
SCHEMBL20133641 0.65 KDM4E (0.31) —
SCHEMBL23503056 0.65 AR (0.32) —
SCHEMBL19132984 0.64 KCNH2 (0.38) AURKAGRK6
SCHEMBL21250118 0.63 SCN8A (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 — — 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 (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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 HSD11B1 1676/4885AURKA 3062/4885GRK6 3578/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HSD11B1 1676/4885AURKA 3062/4885GRK6 3578/4885

“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.

Send feedback