SCHEMBL29314696

SCHEMBL29314696

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3cnccn3)nc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
CFTR P13569 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL26783876 0.94 BACE1 (0.38) BACE1SMN1; SMN2MAPTRXFP1CFTR
SCHEMBL29320279 0.90 KDM4E (0.38) SMN1; SMN2ADORA3CFTRKMT2AMEN1
SCHEMBL29314683 0.89 ADORA3 (0.35) MAPTADORA3
SCHEMBL29314648 0.88 TLR8 (0.34) MAPTNPC1RAB9A
SCHEMBL29314663 0.88 KDR (0.34) BACE1MAPTKMT2AMEN1
SCHEMBL29314651 0.88 NAMPT (0.36) MAPT
SCHEMBL29314656 0.88 KLKB1 (0.33) MAPT
SCHEMBL29314678 0.88 MAOB (0.38) MAPT
SCHEMBL29320261 0.88 TLR8 (0.39) ADORA3CFTRKMT2AMEN1
SCHEMBL29320251 0.87 NAMPT (0.36) CFTRKMT2AMEN1

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 BACE1 406/4885SMN1; SMN2 4781/4885MAPT 1593/4885

“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.