SCHEMBL1934710

SCHEMBL1934710

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.41
▸ ABL1 P00519 4/20 0.41
▸ RET P07949 4/20 0.41
▸ FLT3 P36888 4/20 0.41
▸ GSK3B P49841 4/20 0.41
▸ CDK7 P50613 4/20 0.41
▸ CDK5 Q00535 4/20 0.41
▸ PRKAA1 Q13131 4/20 0.41
▸ AURKB Q96GD4 4/20 0.41
▸ LRRK2 Q5S007 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ JAK2 O60674 3/20 0.41
▸ KDR P35968 2/20 0.41
▸ PTK2 Q05397 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ LIMK1 P53667 2/20 0.41
▸ SYK P43405 1/20 0.40
▸ SCN9A Q15858 9/20 0.37
▸ IGF1R P08069 4/20 0.37
▸ PAK4 O96013 3/20 0.37

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
SCHEMBL1934059 0.92 SYK (0.47) AURKAABL1RETFLT3GSK3B
SCHEMBL2319696 0.90 AURKA (0.39) AURKAABL1RETFLT3GSK3B
SCHEMBL1933003 0.86 SYK (0.58) AURKAABL1RETFLT3GSK3B
SCHEMBL2318623 0.84 SYK (0.45) AURKAABL1RETFLT3GSK3B
SCHEMBL2318643 0.83 SYK (0.47) AURKAABL1RETFLT3GSK3B
SCHEMBL2319421 0.82 CDK5 (0.59) AURKAABL1RETFLT3GSK3B
SCHEMBL2319584 0.82 SYK (0.46) AURKAABL1RETFLT3GSK3B
SCHEMBL2322603 0.81 POLB (0.49) —
SCHEMBL1933938 0.81 SYK (0.48) SYKSCN9ASCN5A
SCHEMBL2320228 0.79 SYK (0.51) AURKAABL1RETFLT3GSK3B

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 12 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

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 AURKA 702/4885ABL1 477/4885RET 1409/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 AURKA 702/4885ABL1 477/4885RET 1409/4885

“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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