SCHEMBL3120948

SCHEMBL3120948

Cc1cccc(Nc2c(C(=O)N3CCC[C@H]3CO)sc3c2ccc(=O)n3-c2c(F)cccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 5/20 0.37
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TYK2 P29597 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TSPO P30536 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RIPK1 Q13546 1/20 0.32
JAK2 O60674 2/20 0.32
CFD P00746 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CNR2 P34972 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
SCHEMBL3116932 1.00 RAB9A (0.42) RAB9AHCRTR1HCRTR2ADORA3ADORA2A
SCHEMBL3117310 0.92 RAB9A (0.42) RAB9AHCRTR1HCRTR2ADORA3ADORA2A
SCHEMBL3118823 0.83 HTR2C (0.39) JAK2
SCHEMBL3106090 0.83 TYK2 (0.36) RAB9AHCRTR1HCRTR2ADORA3ADORA2A
SCHEMBL3120023 0.83 TYK2 (0.36) RAB9AHCRTR1HCRTR2ADORA3ADORA2A
SCHEMBL4563000 0.83 TYK2 (0.36) RAB9AHCRTR1HCRTR2ADORA3ADORA2A
SCHEMBL3115823 0.81 RAB9A (0.45) RAB9AHCRTR1HCRTR2TYK2HRH3
SCHEMBL3119266 0.81 RAB9A (0.45) RAB9ATYK2HRH3RIPK1KMT2A
SCHEMBL3116038 0.81 RAB9A (0.45) RAB9AHCRTR1HCRTR2TYK2HRH3
SCHEMBL3124399 0.79 RAB9A (0.32) RAB9AHCRTR1HCRTR2

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-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-15 US claimed
US-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-15 US disclosed
EP-2099805-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB Pharma S.A. (BE) 2009-09-16 EP disclosed
WO-2008064829-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-05 WO 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-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof AASDHPPT, PTMS, TPMT RAB9A 596/4885HCRTR1 4714/4885HCRTR2 4785/4885

“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.