SCHEMBL16446481

SCHEMBL16446481

Cc1cnc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)nc1-c1ccc(C(=O)NCC#N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 1.00
▸ JAK3 P52333 18/20 1.00
▸ JAK1 P23458 17/20 1.00
▸ BMPR1B O00238 1/20 0.62
▸ PLK4 O00444 1/20 0.62
▸ CIT O14578 1/20 0.62
▸ GAK O14976 1/20 0.62
▸ OPA1 O60313 1/20 0.62
▸ ROCK2 O75116 1/20 0.62
▸ STK16 O75716 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ CSNK2A2 P19784 1/20 0.62
▸ CDK2 P24941 1/20 0.62
▸ MARK3 P27448 1/20 0.62
▸ TYK2 P29597 1/20 0.62
▸ BMPR1A P36894 1/20 0.62
▸ TGFBR1 P36897 1/20 0.62
▸ STAT3 P40763 1/20 0.62
▸ STAT5A P42229 1/20 0.62
▸ MAPK8 P45983 1/20 0.62

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
SCHEMBL3620070 0.92 JAK2 (1.00) JAK2JAK3JAK1BMPR1BPLK4
SCHEMBL16446332 0.92 JAK2 (1.00) JAK2JAK3JAK1BMPR1BPLK4
SCHEMBL16446555 0.92 JAK2 (1.00) JAK2JAK3JAK1BMPR1BPLK4
SCHEMBL16456466 0.91 JAK2 (0.84) JAK2JAK3JAK1
SCHEMBL16446787 0.90 JAK2 (0.82) JAK2JAK3JAK1
SCHEMBL16447886 0.89 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL2866901 0.89 JAK2 (0.81) JAK2JAK3JAK1BMPR1BPLK4
SCHEMBL30051224 0.89 JAK2 (0.81) JAK2JAK3JAK1BMPR1BPLK4
SCHEMBL2863402 0.87 JAK2 (0.79) JAK2JAK3JAK1BMPR1BPLK4
SCHEMBL30051760 0.87 JAK2 (0.79) JAK2JAK3JAK1BMPR1BPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 — — US claimed
EP-3030561-B1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LTD (IN) 2017-01-11 — — EP claimed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 — — US claimed
EP-3030561-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE Cadila Healthcare Limited (IN) 2016-06-15 — — EP claimed
WO-2015019365-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2015-02-12 — — WO claimed
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 — — US disclosed
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 — — US disclosed
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 — — US disclosed
EP-3030561-B1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LTD (IN) 2017-01-11 — — EP disclosed
EP-3030561-B1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LTD (IN) 2017-01-11 — — EP disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 — — US disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 — — US disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 — — US disclosed
EP-3030561-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE Cadila Healthcare Limited (IN) 2016-06-15 — — EP disclosed
WO-2015019365-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2015-02-12 — — 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 (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-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE JAK1, JAK3, JAK2 JAK2 3/4885JAK3 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.

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