SCHEMBL3020912

SCHEMBL3020912

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3nc4cccc(NC5CCCCC5)n4n3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.47
▸ JAK2 O60674 5/20 0.47
▸ TBK1 Q9UHD2 1/20 0.47
▸ JAK3 P52333 2/20 0.44
▸ HDAC1 Q13547 3/20 0.43
▸ MAP3K5 Q99683 1/20 0.43
▸ ACKR3 P25106 1/20 0.43
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NTRK1 P04629 1/20 0.41

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
SCHEMBL2789285 0.88 JAK1 (0.49) JAK1JAK2HDAC1MAP3K5ACKR3
SCHEMBL2788183 0.86 JAK1 (0.49) JAK1JAK2MAP3K5ACKR3HRH3
SCHEMBL3020469 0.85 MAP3K5 (0.60) JAK1JAK2TBK1HDAC1MAP3K5
SCHEMBL2787611 0.85 JAK2 (0.57) JAK1JAK2MAP3K5
SCHEMBL12341929 0.85 JAK1 (0.49) JAK1JAK2HDAC1MAP3K5ACKR3
SCHEMBL2772557 0.80 MAP3K5 (0.51) JAK1JAK2MAP3K5ACKR3
SCHEMBL2787919 0.79 KDM4E (0.47) JAK1JAK2MAP3K5MEN1KMT2A
SCHEMBL2789350 0.79 MAP3K5 (0.49) JAK1JAK2MAP3K5ACKR3MEN1
SCHEMBL3020907 0.78 MAP3K5 (0.49) JAK1JAK2MAP3K5ACKR3
SCHEMBL2787694 0.75 JAK1 (0.53) JAK1JAK2MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US claimed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US claimed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US claimed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — 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 (2 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 JAK1 229/4885JAK2 228/4885TBK1 31/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 JAK1 229/4885JAK2 228/4885TBK1 31/4885

“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.

Send feedback