SCHEMBL3923441

SCHEMBL3923441

CCCNC(=O)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.43
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
ACVR1 Q04771 4/20 0.37
MAP4K1 Q92918 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
IGF1R P08069 3/20 0.34
BDKRB1 P46663 1/20 0.34
CDK2 P24941 3/20 0.34

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
SCHEMBL3922760 0.93 NUDT1 (0.43) NUDT1JAK2ACVR1MAP4K1HDAC3
SCHEMBL3932640 0.93 NUDT1 (0.42) NUDT1JAK2ACVR1MAP4K1HDAC3
SCHEMBL3923442 0.91 NUDT1 (0.41) NUDT1JAK2ACVR1MAP4K1HDAC3
SCHEMBL3931687 0.91 NUDT1 (0.41) NUDT1ACVR1MAP4K1HDAC3HDAC4
SCHEMBL3922255 0.90 NUDT1 (0.41) NUDT1JAK2ACVR1MAP4K1IGF1R
SCHEMBL3935795 0.90 NUDT1 (0.42) NUDT1JAK2ACVR1MAP4K1IGF1R
SCHEMBL3931611 0.90 NUDT1 (0.40) NUDT1JAK2ACVR1MAP4K1ADAM17
SCHEMBL3932770 0.90 NUDT1 (0.40) NUDT1JAK2ACVR1MAP4K1ADAM17
SCHEMBL3922920 0.90 NUDT1 (0.40) NUDT1JAK2ACVR1MAP4K1HDAC1
SCHEMBL3932222 0.90 IGF1R (0.43) NUDT1JAK2ACVR1HDAC1IGF1R

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-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
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 NUDT1 4271/4885JAK2 1/4885JAK1 9/4885

“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.