SCHEMBL10249300

SCHEMBL10249300

Cc1ccc2c(c1)nc(-c1ccncc1)n2CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.55
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
AAK1 Q2M2I8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RORC P51449 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
TLR8 Q9NR97 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TEK Q02763 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL13299519 0.87 NLRP3 (0.72) NLRP3LMNAJAK2JAK1TYK2
SCHEMBL10252674 0.84 NLRP3 (0.76) NLRP3LMNATDP1JAK2JAK1
SCHEMBL174496 0.83 JAK2 (0.46) LMNATDP1JAK2JAK1TYK2
SCHEMBL10249212 0.82 NLRP3 (0.59) NLRP3LMNATDP1JAK2JAK1
SCHEMBL10249379 0.78 USP2 (0.52) NLRP3LMNATDP1JAK2JAK1
SCHEMBL10252663 0.77 NLRP3 (0.47) NLRP3LMNATDP1JAK2JAK1
SCHEMBL10249140 0.76 MEN1 (0.66) NLRP3LMNATDP1JAK2JAK1
SCHEMBL3114047 0.75 NLRP3 (0.46) NLRP3LMNAALDH1A1KDM4EHPGD
SCHEMBL10249377 0.72 ALOX5AP (0.64) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL10252666 0.72 NLRP3 (0.58) NLRP3AAK1ALDH1A1KDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 NLRP3 873/4885LMNA 1456/4885TDP1 3930/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 NLRP3 873/4885LMNA 1456/4885TDP1 3930/4885

“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.