SCHEMBL12848561

SCHEMBL12848561

CC(C)C(=O)Nc1cnc2c(n1)CCCC1=C2CN(c2nnn(C)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL12848842 0.84 — —
SCHEMBL12848449 0.83 RORC (0.36) KDM4EALDH1A1
SCHEMBL12848849 0.81 HTR1F (0.40) NPSR1ALDH1A1
SCHEMBL12848839 0.80 SLC27A1 (0.36) ADORA3ADORA2AADORA2BADORA1NPSR1
SCHEMBL12848914 0.80 HRH3 (0.33) ADORA3ADORA2AADORA2BADORA1NPSR1
SCHEMBL12848737 0.70 ALOX15 (0.31) TSHR
SCHEMBL12848841 0.65 MAPT (0.37) KDM4EALDH1A1
SCHEMBL4999489 0.65 HDAC4 (0.35) ADORA2AADORA1KDM4E
SCHEMBL12848559 0.64 TP53 (0.37) KDM4E
SCHEMBL12848445 0.63 MEN1 (0.38) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 TSHR 4453/4885ADORA3 763/4885ADORA2A 445/4885

“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.

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