SCHEMBL15980685

SCHEMBL15980685

Cc1nc(C(C)C)ccc1-c1ccc(-c2ncco2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
EDNRA P25101 7/20 0.39
EDNRB P24530 6/20 0.39
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
HPGDS O60760 1/20 0.35
HPGD P15428 1/20 0.33
HDAC4 P56524 1/20 0.32
LCK P06239 1/20 0.32
KIT P10721 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
PIN1 Q13526 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
SCHEMBL15984819 0.82 LTA4H (0.44) LTA4HEDNRAEDNRBCHRNA7CHRNA10
SCHEMBL17751090 0.79 LTA4H (0.42) LTA4HEDNRAEDNRBCHRNA7CHRNA10
SCHEMBL14211885 0.75 HPGDS (0.47) LTA4HEDNRAEDNRBCHRNA7CHRNA10
SCHEMBL15980679 0.75 PDE3B (0.40)
SCHEMBL9263374 0.73 NOTUM (0.53) LTA4HEDNRAEDNRBCHRNA7CHRNA10
SCHEMBL15980657 0.73 PSMB5 (0.42) HPGDADORA2AADORA2BADORA1
SCHEMBL722557 0.72 LTA4H (0.64) LTA4HEDNRAEDNRBCHRNA7CHRNA10
SCHEMBL15980684 0.71 KDM5B (0.43) EDNRACCNCCDK8HDAC4ADORA2A
SCHEMBL15980662 0.71 KDM5B (0.36)
SCHEMBL15980670 0.71 KDM5B (0.38)

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-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK LTA4H 1725/4885EDNRA 2187/4885EDNRB 1625/4885

“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.