SCHEMBL2319675

SCHEMBL2319675

Cc1ncc2cnc3c(cc(-c4cccc(C(=O)NCCN5CCOCC5)c4)n3COCC[Si](C)(C)C)n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ERN1 O75460 1/20 0.45
CD274 Q9NZQ7 5/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
HPGD P15428 1/20 0.43
HPGDS O60760 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK10 P53779 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
PTGER4 P35408 1/20 0.42

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
SCHEMBL12556444 0.77 POLB (0.51) CAMK2DCYP2C9CYP2C19ERN1CD274
Acetic Acid SCHEMBL2317209 0.75 POLB (0.48) CAMK2DCYP2C9CYP2C19ERN1CD274
SCHEMBL20460270 0.69 CYP2C19 (0.74) CYP2C9CYP2C19ERN1CD274MAP4K4
SCHEMBL2319988 0.69 KCNH2 (0.35)
SCHEMBL279958 0.67 CYP2C19 (0.72) CYP2C9CYP2C19CD274HPGDL3MBTL1
SCHEMBL16495978 0.66 CYP2C19 (0.70) CYP2C9CYP2C19CD274MAP4K4HPGD
SCHEMBL10264071 0.65 CYP2C19 (0.69) CYP2C9CYP2C19ERN1CD274HPGD
SCHEMBL2317935 0.65 PRKDC (0.40)
Ammonia Solution, Strong SCHEMBL2320645 0.65 MAPT (0.31)
SCHEMBL2320132 0.65 PIK3CB (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 CAMK2D 2826/4885CYP2C9 25/4885CYP2C19 12/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 CAMK2D 2826/4885CYP2C9 25/4885CYP2C19 12/4885

“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.