SCHEMBL10249414

SCHEMBL10249414

Cc1ccc2c(c1)nc(-c1ccncc1)n2C(C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
RORC P51449 1/20 0.40
RHEB Q15382 1/20 0.39
CTSA P10619 1/20 0.37
PTGER4 P35408 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMO O15229 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL10284686 0.85 JAK2 (0.41) JAK2JAK1TYK2JAK3RORC
SCHEMBL10252663 0.84 NLRP3 (0.47) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL10249379 0.81 USP2 (0.52) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL10249356 0.74 AAK1 (0.44) NLRP3RORCKDM4EUSP2HTT
SCHEMBL10249300 0.72 NLRP3 (0.55) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL13299517 0.71 NLRP3 (0.60) NLRP3PTGER4HDAC1HDAC8KDM4E
SCHEMBL10249140 0.70 MEN1 (0.66) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL10252674 0.70 NLRP3 (0.76) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL4222262 0.69 HCAR3 (0.56) KMOHTTMEN1KMT2A
SCHEMBL169563 0.69 HTR2B (0.42) JAK2JAK1TYK2JAK3RORC

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 873/4885JAK2 942/4885JAK1 2569/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 NLRP3 873/4885JAK2 942/4885JAK1 2569/4885

“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.