SCHEMBL29315531

SCHEMBL29315531

N#C[C@H]1CCN(C(=O)Cn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.39
KDM1A O60341 6/20 0.35
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
DDR1 Q08345 3/20 0.32
JAK2 O60674 4/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
ENPP2 Q13822 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 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
SCHEMBL29329331 0.88 KDM1A (0.35) JAK1KDM1AJAK2TYK2JAK3
SCHEMBL29315462 0.86 JAK1 (0.38) JAK1ROCK2ROCK1JAK2TYK2
SCHEMBL26792311 0.85 CCNC (0.34) GRIN2B
SCHEMBL29315539 0.85 GRIN2B (0.36) GRIN2B
SCHEMBL29315545 0.83 GRIN2B (0.36) JAK1KDM1AJAK2GRIN2B
SCHEMBL29315543 0.83 GRIN2B (0.34) GRIN2B
SCHEMBL29315499 0.83 SMN1; SMN2 (0.38) JAK2
SCHEMBL29315570 0.83 IRAK4 (0.40)
SCHEMBL29315533 0.80 MPO (0.38)
SCHEMBL29315565 0.78 TLR7 (0.38)

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 2 patents. 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
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 JAK1 2951/4885KDM1A 3342/4885ROCK2 3719/4885

“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.