SCHEMBL19252754

SCHEMBL19252754

CCCC(C)(CC)c1cnc(C(N)=O)nc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SLC5A2 P31639 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
SCHEMBL24911620 0.85 ESR1 (0.33) KMT2AESR1ESR2LMNAKDM4E
SCHEMBL23771928 0.83 KMT2A (0.34) KMT2AHSD17B10LMNAKDM4EALDH1A1
SCHEMBL24910618 0.81 POLB (0.33) KMT2AESR1ESR2ALDH1A1
SCHEMBL19252759 0.80 KMT2A (0.36) KMT2AHSD17B10LMNAKDM4EALDH1A1
SCHEMBL19135671 0.78 NUDT1 (0.35) ESR1ESR2KDM4EALDH1A1
SCHEMBL24911599 0.77 P4HTM (0.36) KMT2A
SCHEMBL19251046 0.75 ESR1 (0.33) ESR1ESR2
SCHEMBL12459158 0.75 KMT2A (0.40) KMT2ALMNAALDH1A1
SCHEMBL22778695 0.75 ESR1 (0.34) ESR1ESR2
SCHEMBL22752545 0.74 ESR1 (0.33) ESR1ESR2

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-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS KMT2A 2563/4885ESR1 4207/4885ESR2 2974/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B KMT2A 3095/4885ESR1 2830/4885ESR2 3452/4885

“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.