SCHEMBL12547844

SCHEMBL12547844

N#CCC(=O)N1CCCCC12CCCN(c1ncnc3[nH]ccc13)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 1.00
LCK P06239 8/20 1.00
JAK2 O60674 3/20 0.96

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
SCHEMBL10205645 0.99 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL12547076 0.98 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL10205924 0.98 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL12546979 0.98 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL10206480 0.96 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL12547759 0.96 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL12547861 0.95 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL10207528 0.95 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL12546990 0.95 JAK3 (1.00) JAK3LCKJAK2
SCHEMBL1949893 0.95 JAK3 (1.00) JAK3LCKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
EP-3181570-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2017-06-21 EP disclosed
EP-2460806-B1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 US disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 US disclosed
WO-2011013785-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME 日本たばこ産業株式会社 (JP) 2011-02-03 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 (3 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-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 JAK3 899/4885LCK 669/4885JAK2 64/4885
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NPR1 JAK3 570/4885LCK 542/4885JAK2 87/4885
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 JAK3 899/4885LCK 669/4885JAK2 64/4885

“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.