SCHEMBL29311510

SCHEMBL29311510

O=c1ccc2cccnc2n1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40
CCR1 P32246 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL29712289 0.77 BRD4 (0.50) PARP1KDM4EGMNNLMNATP53
SCHEMBL3515138 0.77 DAO (0.47) PARP1KDM4EGMNNLMNATP53
SCHEMBL25723262 0.77 CYP2C19 (0.42) PARP1KDM4EGMNNLMNATP53
SCHEMBL9577060 0.77 PARP1 (0.46) PARP1KDM4EGMNNLMNATP53
SCHEMBL2614748 0.77 BRD4 (0.50) PARP1KDM4EGMNNLMNATP53
SCHEMBL27254155 0.77 PARP1 (0.42) PARP1KDM4EGMNNLMNATP53
SCHEMBL29311375 0.77 PARP1 (0.39) PARP1KDM4EGMNNLMNATP53
SCHEMBL11056945 0.73 CDK4 (0.51) PARP1KDM4ETSHRCYP2C19ALDH1A1
SCHEMBL10376007 0.73 PARP1 (0.39) PARP1KDM4EGMNNLMNATP53
SCHEMBL27250199 0.73 CDK4 (0.49) PARP1L3MBTL1CDK2

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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 (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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 PARP1 459/4885KDM4E 3520/4885GMNN 3849/4885

“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.