SCHEMBL3020469

SCHEMBL3020469

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3nc4cc(C(F)(F)F)cc(NC5CC5)n4n3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.60
▸ TBK1 Q9UHD2 1/20 0.46
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ GAS6 Q14393 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL2786888 0.89 MAP3K5 (0.66) MAP3K5SMN1; SMN2JAK2JAK1KMT2A
SCHEMBL2788851 0.88 MAP3K5 (0.69) MAP3K5SMN1; SMN2HPGDJAK2JAK1
SCHEMBL2789544 0.87 MAP3K5 (0.67) MAP3K5SMN1; SMN2JAK2JAK1KMT2A
SCHEMBL2787681 0.86 MAP3K5 (0.66) MAP3K5SMN1; SMN2HDAC1JAK2JAK1
SCHEMBL2789598 0.86 MAP3K5 (0.66) MAP3K5SMN1; SMN2JAK2JAK1USP30
SCHEMBL3020912 0.85 JAK1 (0.47) MAP3K5TBK1DDB1CRBNHDAC1
SCHEMBL2787410 0.82 MAP3K5 (0.76) MAP3K5JAK2JAK1KMT2A
SCHEMBL3024342 0.80 MAP3K5 (0.71) MAP3K5JAK2JAK1
SCHEMBL2788575 0.76 MAP3K5 (1.00) MAP3K5SMN1; SMN2JAK2JAK1KMT2A
SCHEMBL2788032 0.75 MAP3K5 (0.65) MAP3K5JAK2JAK1FLT3TYRO3

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 12 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-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
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 MAP3K5 1/4885TBK1 31/4885DDB1 2356/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885TBK1 31/4885DDB1 2356/4885

“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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