SCHEMBL21152290

SCHEMBL21152290

CC(C)C(=O)CCCc1cn(C(C)C)nn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.39
MIF P14174 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 4/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL17324236 0.91 CYP19A1 (0.38) CYP19A1MIFPOLBMEN1PABPC1
SCHEMBL22854013 0.87 CYP19A1 (0.39) CYP19A1MIFPOLBMEN1PABPC1
SCHEMBL26501075 0.83 CYP19A1 (0.33) CYP19A1MIFPOLBMEN1KMT2A
SCHEMBL26501074 0.83 CYP19A1 (0.33) CYP19A1MIFPOLBMEN1KMT2A
SCHEMBL25735013 0.82 CYP19A1 (0.37) CYP19A1MIFPOLBMEN1PABPC1
SCHEMBL16674191 0.81 CYP1A2 (0.41) CYP19A1POLBACHE
SCHEMBL14434943 0.81 L3MBTL1 (0.49) CYP19A1POLBHDAC1
SCHEMBL14434944 0.80 CYP19A1 (0.42) CYP19A1POLB
SCHEMBL20362415 0.78 EPHX2 (0.47) CYP19A1HDAC1
SCHEMBL19296369 0.78 FOLH1 (0.47) HDAC1

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-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-11254705-B2 Cyclic peptide analogs and conjugates thereof SIRENAS LLC (US) 2022-02-22 US disclosed
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2019-07-11 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 (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-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR CYP19A1 1525/4885MIF 1131/4885POLB 3318/4885
US-11254705-B2 Cyclic peptide analogs and conjugates thereof VIP, NGLY1, GRPR CYP19A1 1525/4885MIF 1131/4885POLB 3318/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 CYP19A1 1769/4885MIF 2029/4885POLB 4039/4885

“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.