SCHEMBL29315554

SCHEMBL29315554

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CC(=O)NC3CCC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
PRMT3 O60678 1/20 0.34
PDPK1 O15530 6/20 0.34
MAP4K4 O95819 2/20 0.34
AURKB Q96GD4 5/20 0.34
ROCK1 Q13464 2/20 0.34
NPC1 O15118 2/20 0.33
DHODH Q02127 1/20 0.33
AURKA O14965 4/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
BACE1 P56817 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL29315504 0.90 TLR7 (0.34) PDPK1AURKBROCK1AURKA
SCHEMBL29315507 0.85 TLR7 (0.35) POLBGAABACE1RXFP1
SCHEMBL26788285 0.85 ALDH1A1 (0.37) HPGDPOLBPDPK1MAP4K4AURKB
SCHEMBL29314416 0.84 TLR7 (0.37) HPGDTSHRKMT2APDPK1AURKB
SCHEMBL29315533 0.84 MPO (0.38) AURKBAURKA
SCHEMBL29315561 0.83 BACE1 (0.35) MAP4K4BACE1
SCHEMBL26792311 0.82 CCNC (0.34) HPGDKMT2A
SCHEMBL29315523 0.82 TLR8 (0.32)
SCHEMBL29315519 0.81 MAP4K4 (0.35) MAP4K4
SCHEMBL29315513 0.81 POLB (0.38) RAB9AHPGDPOLBKMT2ARXFP1

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 RAB9A 4300/4885HPGD 231/4885TSHR 4795/4885

“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.