SCHEMBL12385682

SCHEMBL12385682

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 1.00
TYK2 P29597 8/20 1.00
JAK3 P52333 8/20 1.00
CYP3A4 P08684 3/20 1.00
KCNH2 Q12809 1/20 1.00
JAK2 O60674 5/20 0.84

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
SCHEMBL2223450 1.00 JAK1 (1.00) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL14643445 0.95 JAK1 (0.90) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL12385676 0.92 JAK1 (1.00) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL2223993 0.92 JAK1 (1.00) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL14603647 0.88 JAK1 (0.89) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL14605153 0.88 JAK1 (0.89) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL20276470 0.88 JAK1 (0.82) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL12425810 0.88 JAK1 (0.78) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL2275690 0.88 JAK1 (0.78) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL2275156 0.86 JAK1 (1.00) JAK1TYK2JAK3CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 (1 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885TYK2 827/4885JAK3 780/4885

“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.