SCHEMBL10277773

SCHEMBL10277773

N#CC1(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.66
JAK2 O60674 3/20 0.61
JAK1 P23458 1/20 0.61
TYK2 P29597 1/20 0.61
KIT P10721 5/20 0.59
AKT1 P31749 5/20 0.59
AKT2 P31751 1/20 0.52
HTR2C P28335 1/20 0.52
LCK P06239 1/20 0.52

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
SCHEMBL323706 0.86 JAK3 (0.78) JAK3JAK2JAK1TYK2LCK
SCHEMBL323969 0.86 JAK3 (0.66) JAK3JAK2JAK1TYK2LCK
SCHEMBL1045883 0.84 JAK3 (0.84) JAK3JAK2LCK
SCHEMBL2778397 0.84 JAK3 (0.63) JAK3JAK2JAK1TYK2KIT
SCHEMBL323307 0.84 JAK3 (0.60) JAK3JAK2JAK1TYK2KIT
SCHEMBL10277501 0.82 AKT1 (0.50) JAK3JAK2JAK1TYK2AKT1
SCHEMBL323604 0.81 JAK3 (0.88) JAK3JAK2LCK
SCHEMBL1049868 0.81 JAK3 (0.81) JAK3JAK2JAK1TYK2LCK
SCHEMBL20411223 0.80 JAK3 (0.69) JAK3JAK2JAK1TYK2
SCHEMBL12547685 0.80 JAK3 (1.00) JAK3JAK2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US claimed
CN-102574857-B Heterocyclic compounds as jak receptor and protein tyrosine kinase inhibitors LEO PHARMA AS 2015-06-10 CN claimed
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 EP claimed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US claimed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885JAK2 2/4885JAK1 1/4885

“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.