SCHEMBL15324898

SCHEMBL15324898

Cc1ccc(CN2C[C@@H]3C[C@H]2CO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.43
PDE1B Q01064 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
PDE10A Q9Y233 2/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
METTL3 Q86U44 1/20 0.38
GBA1 P04062 1/20 0.38
DGKZ Q13574 1/20 0.37
BRAF P15056 1/20 0.37
PDE7B Q9NP56 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
SCHEMBL22425610 1.00 TLR7 (0.43) TLR7PDE1BJAK2JAK1PDE10A
SCHEMBL1929059 0.84 JAK2 (0.43) TLR7PDE1BJAK2JAK1PDE10A
SCHEMBL9953012 0.84 TLR7 (0.45) TLR7PDE1BJAK2JAK1PDE10A
SCHEMBL15312373 0.84 TLR7 (0.45) TLR7PDE1BJAK2JAK1PDE10A
SCHEMBL15317724 0.84 TLR7 (0.41) TLR7PDE1BJAK2JAK1PDE10A
SCHEMBL14857043 0.81 DGKZ (0.41) TLR7PDE1BJAK2JAK1CCNC
SCHEMBL9953021 0.79 KCNJ1 (0.45) PDE1BJAK2JAK1ALDH1A1LMNA
SCHEMBL25153282 0.78 LPL (0.43) TLR7PDE1BJAK2JAK1PDE10A
SCHEMBL15312545 0.77 CYP51A1 (0.40) TLR7PDE1BJAK2JAK1PDE10A
SCHEMBL13162684 0.76 CCNC (0.41) TLR7PDE1BJAK2JAK1PDE10A

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-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 TLR7 156/4885PDE1B 4085/4885JAK2 66/4885

“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.