SCHEMBL1933003

SCHEMBL1933003

Cn1cc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c2ccc(C(=O)NC(C)(C)CO)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.58
▸ DGAT2 Q96PD7 1/20 0.39
▸ SCN9A Q15858 12/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ AURKA O14965 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ RET P07949 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ SCN5A Q14524 6/20 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
SCHEMBL2317259 0.93 SYK (0.68) SYKDGAT2ABL1AURKAJAK2
SCHEMBL2318623 0.88 SYK (0.45) SYKSCN9AABL1AURKAJAK2
SCHEMBL1934710 0.86 AURKA (0.41) SYKSCN9AABL1AURKAJAK2
SCHEMBL2319696 0.83 AURKA (0.39) SYKSCN9AABL1AURKAJAK2
SCHEMBL2322558 0.82 SYK (0.53) SYKABL1AURKAJAK2RET
SCHEMBL2320228 0.80 SYK (0.51) SYKABL1AURKAJAK2RET
SCHEMBL2322603 0.80 POLB (0.49) —
SCHEMBL1934059 0.78 SYK (0.47) SYKABL1AURKAJAK2RET
SCHEMBL1933938 0.78 SYK (0.48) SYKSCN9ASCN5A
SCHEMBL2318643 0.78 SYK (0.47) SYKABL1AURKAJAK2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
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-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-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
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 — — EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — 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 (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 SYK 1996/4885DGAT2 2193/4885SCN9A 1700/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 SYK 1996/4885DGAT2 2193/4885SCN9A 1700/4885

“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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