SCHEMBL4355902

SCHEMBL4355902

N[C@H]1CCC(c2n[nH]c3cnc4[nH]ccc4c23)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.42
JAK1 P23458 13/20 0.42
JAK2 O60674 13/20 0.42
TYK2 P29597 4/20 0.42
AKT2 P31751 2/20 0.37
KIT P10721 1/20 0.37
GSK3B P49841 1/20 0.37
DOT1L Q8TEK3 1/20 0.34
PBK Q96KB5 1/20 0.34

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
SCHEMBL1536833 1.00 JAK3 (0.42) JAK3JAK1JAK2TYK2AKT2
SCHEMBL13579873 1.00 JAK3 (0.42) JAK3JAK1JAK2TYK2AKT2
SCHEMBL1536198 0.83 JAK3 (0.46) JAK3JAK1JAK2TYK2
SCHEMBL4353547 0.83 JAK3 (0.48) JAK3JAK1JAK2TYK2
SCHEMBL1536100 0.82 JAK1 (0.50) JAK3JAK1JAK2TYK2
SCHEMBL1536104 0.81 JAK2 (0.48) JAK3JAK1JAK2TYK2
SCHEMBL1536083 0.80 JAK1 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL13580621 0.79 JAK3 (0.37) JAK3JAK1JAK2TYK2
SCHEMBL13580620 0.79 JAK3 (0.37) JAK3JAK1JAK2TYK2
SCHEMBL13580572 0.79 RET (0.40) JAK3JAK1JAK2TYK2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2023-03-16 US disclosed
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2018-10-11 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
WO-2009152133-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-12-17 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 (5 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-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK3 1706/4885JAK1 1259/4885JAK2 331/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 JAK3 1706/4885JAK1 1259/4885JAK2 331/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK3 1706/4885JAK1 1259/4885JAK2 331/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK3 1706/4885JAK1 1259/4885JAK2 331/4885
US-20230082167-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 JAK3 1706/4885JAK1 1259/4885JAK2 331/4885

“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.