SCHEMBL29329331

SCHEMBL29329331

CC1CCN(C(=O)Cn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GAA P10253 2/20 0.32
JAK3 P52333 3/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
PKN2 Q16513 1/20 0.31
AURKB Q96GD4 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
KCNH2 Q12809 1/20 0.31
APH1B Q8WW43 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
SCHEMBL29315531 0.88 JAK1 (0.39) KDM1AJAK3JAK2JAK1TYK2
SCHEMBL26792311 0.87 CCNC (0.34) KMT2AMEN1TP53ALDH1A1TLR8
SCHEMBL29315545 0.87 GRIN2B (0.36) KDM1ATLR8TLR7JAK2JAK1
SCHEMBL29315499 0.87 SMN1; SMN2 (0.38) SMN1; SMN2JAK2AURKB
SCHEMBL29315539 0.87 GRIN2B (0.36) GRIN2B
SCHEMBL29315570 0.87 IRAK4 (0.40) TLR8TLR7
SCHEMBL26788472 0.86 TP53 (0.32) KMT2AMEN1TP53ALDH1A1ATM
SCHEMBL29315543 0.85 GRIN2B (0.34) TLR8TLR7GRIN2B
SCHEMBL29315533 0.82 MPO (0.38) TLR8TLR7AURKB
SCHEMBL29315554 0.79 RAB9A (0.37) KMT2AGAAAURKBNPC1TSHR

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD KDM1A 3342/4885SMN1; SMN2 4781/4885KMT2A 4247/4885

“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.