SCHEMBL22348892

SCHEMBL22348892

CNc1c(C(=O)NCCN(C)C)c2nc3ccc(CNc4c(C(=O)N5CC(C)NC(C)C5)c5nc6ccccc6n5c5ncccc45)cc3n2c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ IDO1 P14902 4/20 0.33
▸ TDO2 P48775 2/20 0.33
▸ POLR1A O95602 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ECE1 P42892 1/20 0.32
▸ MUS81 Q96NY9 1/20 0.32
▸ MET P08581 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ HTR6 P50406 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
SCHEMBL22348903 0.92 KDM4E (0.33) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL21466270 0.92 BRD4 (0.35) TP53KDM4EMEN1ALDH1A1GAA
SCHEMBL21466266 0.90 KDM4E (0.33) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL18057541 0.82 REN (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL18057505 0.82 REN (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL18057519 0.81 TP53 (0.48) TP53KDM4EMEN1ALDH1A1GAA
SCHEMBL19636366 0.77 PARP1 (0.31) —
SCHEMBL18057556 0.75 TP53 (0.44) TP53KDM4EMEN1ALDH1A1GAA
SCHEMBL19636468 0.75 PARP1 (0.31) —
SCHEMBL18057535 0.73 EGFR (0.48) TP53KDM4EMEN1ALDH1A1GAA

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-10745403-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-08-18 — — 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-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 TP53 23/4885KDM4E 2323/4885MEN1 2100/4885

“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.

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