SCHEMBL24702012

SCHEMBL24702012

O=C(CBr)c1ccc2cncn2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
NAMPT P43490 1/20 0.46
ESR1 P03372 1/20 0.44
HDAC1 Q13547 1/20 0.44
GSK3B P49841 10/20 0.42
PTPN1 P18031 6/20 0.42
MGLL Q99685 1/20 0.35
DDR1 Q08345 1/20 0.33

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
SCHEMBL26836187 0.78 ESR1 (0.47) TBXAS1NAMPTESR1HDAC1MGLL
SCHEMBL26414011 0.78 TBXAS1 (0.47) TBXAS1NAMPTESR1HDAC1
SCHEMBL322086 0.74 NAMPT (0.46) TBXAS1NAMPTESR1HDAC1
SCHEMBL30147831 0.74 NAMPT (0.52) TBXAS1NAMPTESR1HDAC1
SCHEMBL26103112 0.72 HPGD (0.51) TBXAS1NAMPTDDR1
SCHEMBL15825109 0.70 TBXAS1 (0.53) TBXAS1NAMPTESR1HDAC1
SCHEMBL21580165 0.70 NAMPT (0.69) TBXAS1NAMPTHDAC1
SCHEMBL29683753 0.70 HDAC1 (0.48) TBXAS1NAMPTESR1HDAC1DDR1
SCHEMBL31285117 0.70 DDR1 (0.49) TBXAS1NAMPTESR1HDAC1MGLL
SCHEMBL20305483 0.70 ESR1 (0.44) TBXAS1NAMPTESR1HDAC1MGLL

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-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 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-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F2, F13B, SERPINE1 TBXAS1 64/4885NAMPT 3829/4885ESR1 2512/4885

“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.