SCHEMBL16408702

SCHEMBL16408702

COc1cc(Nc2nc3c(N4CCCC(C(=O)NCCO)C4)nccn3n2)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.52
IGF1R P08069 10/20 0.52
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL15210468 0.88 LMNA (0.48) ALKIGF1RHPGDLMNAALDH1A1
SCHEMBL16394514 0.87 HPGD (0.48) ALKIGF1RHPGDLMNAALDH1A1
SCHEMBL20350 0.78 JAK2 (0.43) HPGDLMNAALDH1A1KMT2A
SCHEMBL19502 0.76 JAK2 (0.41) HPGDALDH1A1KDM4EKMT2A
SCHEMBL15212550 0.76 ZAP70 (0.41) ALK
SCHEMBL19982767 0.75 HPGD (0.46) ALKIGF1RHPGDLMNAALDH1A1
SCHEMBL15221216 0.75 JAK2 (0.42) ALKKDM4E
SCHEMBL15210501 0.75 JAK2 (0.41)
SCHEMBL17919327 0.74 JAK2 (0.40) HPGDLMNAALDH1A1KMT2A
SCHEMBL15210904 0.74 JAK2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
US-9120804-B2 8-substituted 2-amino-[1,2,4] triazolo [1, 5-A] pyrazines as Syk tryrosine kinase inhibitors and GCN2 serin kinase inhibitors MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 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-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS SYK, EIF2AK4, BTK ALK 47/4885IGF1R 466/4885HPGD 4803/4885

“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.