SCHEMBL29314482

SCHEMBL29314482

Cc1nc(C(=O)NCCc2cc3c(N)nc4cc(-c5cc[nH]n5)ccc4c3[nH]2)cs1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
NAMPT P43490 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.32
DHFR P00374 3/20 0.32
SLC40A1 Q9NP59 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL29315396 0.91 NAMPT (0.36) HIF1ANAMPTALDH1A1KDM4EDHFR
SCHEMBL29314452 0.91 HIF1A (0.33) HIF1ANAMPT
SCHEMBL29314485 0.86 NAMPT (0.36) NAMPTDHFRABL1BCR
SCHEMBL29325284 0.85 NAMPT (0.40) NAMPTGSK3BDHFRABL1BCR
SCHEMBL29315466 0.85 NAMPT (0.35) NAMPTKDM4EMAPTDHFR
SCHEMBL29314478 0.84 NAMPT (0.38) NAMPTGSK3BDYRK1AMAPTDHFR
SCHEMBL29314461 0.83 NAMPT (0.36) NAMPTKDM4EDHFRABL1BCR
SCHEMBL29325305 0.83 NAMPT (0.42) HIF1ANAMPTMAPTABL1BCR
SCHEMBL29314480 0.81 DHFR (0.35) NAMPTDHFR
SCHEMBL29315385 0.79 DHFR (0.36) NAMPTGSK3BDYRK1ADHFR

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 HIF1A 263/4885NAMPT 122/4885ALDH1A1 843/4885

“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.