SCHEMBL2322558

SCHEMBL2322558

Cn1cc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c2cc(C(=O)NCC(C)(C)CO)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.53
▸ GSK3B P49841 5/20 0.38
▸ CDK7 P50613 5/20 0.38
▸ AURKB Q96GD4 5/20 0.38
▸ CDK8 P49336 5/20 0.38
▸ AURKA O14965 4/20 0.38
▸ ABL1 P00519 4/20 0.38
▸ RET P07949 4/20 0.38
▸ FLT3 P36888 4/20 0.38
▸ CDK5 Q00535 4/20 0.38
▸ PRKAA1 Q13131 4/20 0.38
▸ LCK P06239 4/20 0.38
▸ IGF1R P08069 4/20 0.38
▸ GSK3A P49840 4/20 0.38
▸ LRRK2 Q5S007 4/20 0.38
▸ JAK2 O60674 4/20 0.38
▸ PAK4 O96013 3/20 0.38
▸ NTRK1 P04629 3/20 0.38
▸ FYN P06241 3/20 0.38
▸ CSF1R P07333 3/20 0.38

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
SCHEMBL2318623 0.93 SYK (0.45) SYKGSK3BCDK7AURKBAURKA
SCHEMBL2320228 0.89 SYK (0.51) SYKGSK3BCDK7AURKBCDK8
SCHEMBL2317259 0.88 SYK (0.68) SYKGSK3BCDK7AURKBCDK8
SCHEMBL1932819 0.85 SYK (0.47) SYKGSK3BCDK7AURKBCDK8
SCHEMBL2318621 0.85 SYK (0.47) SYKGSK3BCDK7AURKBCDK8
SCHEMBL1933682 0.85 SYK (0.45) SYKGSK3BCDK7AURKBCDK8
SCHEMBL1934059 0.84 SYK (0.47) SYKGSK3BCDK7AURKBCDK8
SCHEMBL1933938 0.84 SYK (0.48) SYK
SCHEMBL2318643 0.83 SYK (0.47) SYKGSK3BCDK7AURKBCDK8
SCHEMBL2318518 0.82 POLB (0.49) SYK

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 10 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-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
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 SYK 1996/4885GSK3B 1274/4885CDK7 521/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 SYK 1996/4885GSK3B 1274/4885CDK7 521/4885

“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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