SCHEMBL3929245

SCHEMBL3929245

O=C(NC1CC1)c1cc(Nc2nc(Cl)nc3cc(Br)cn23)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
JAK2 O60674 2/20 0.36
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
PAK4 O96013 2/20 0.34
SMYD3 Q9H7B4 2/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
IGF1R P08069 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL3926096 0.83 MAPK8 (0.45) MAPK8JAK2MLLT3MLLT1PAK4
SCHEMBL3931997 0.78 NUDT1 (0.51) MAPK8JAK2MLLT3MLLT1KDM4E
SCHEMBL13841093 0.70 JAK2 (0.46) MAPK8JAK2MLLT3MLLT1PAK4
SCHEMBL3040588 0.69 NPC1 (0.41) PAK4MAPK14KDM4ELMNASMN1; SMN2
SCHEMBL3922752 0.68 NUDT1 (0.48) MAPK8JAK2MLLT3MLLT1ALDH1A1
SCHEMBL3922888 0.67 JAK2 (0.43) MAPK8JAK2MLLT3MLLT1KDM4E
SCHEMBL14236020 0.67 MAPK8 (0.57) MAPK8MLLT3MLLT1SMYD3MAPK14
SCHEMBL3920643 0.67 NUDT1 (0.50) MAPK8JAK2MLLT3MLLT1MAPK14
SCHEMBL13841071 0.67 JAK2 (0.62) MAPK8JAK2IGF1R
SCHEMBL1270410 0.66 HCAR2 (0.42) PAK4KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 MAPK8 594/4885JAK2 1/4885MLLT3 2144/4885

“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.