SCHEMBL3935795

SCHEMBL3935795

O=C(NCC1CC1)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.42
ACVR1 Q04771 4/20 0.38
USP30 Q70CQ3 3/20 0.35
IGF1R P08069 3/20 0.35
JAK2 O60674 2/20 0.34
NTRK1 P04629 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
SYK P43405 1/20 0.34
MAP4K1 Q92918 1/20 0.34
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
PRMT5 O14744 1/20 0.33

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 0.91 NUDT1 (0.43) NUDT1ACVR1USP30IGF1RJAK2
SCHEMBL3923441 0.90 NUDT1 (0.43) NUDT1ACVR1USP30IGF1RJAK2
SCHEMBL3932222 0.90 IGF1R (0.43) NUDT1ACVR1IGF1RJAK2
SCHEMBL3923480 0.90 RXFP1 (0.44) NUDT1
SCHEMBL3922255 0.90 NUDT1 (0.41) NUDT1ACVR1IGF1RJAK2MAP4K1
SCHEMBL3931611 0.89 NUDT1 (0.40) NUDT1ACVR1JAK2NTRK1MAP4K1
SCHEMBL3922920 0.89 NUDT1 (0.40) NUDT1ACVR1IGF1RJAK2MAP4K1
SCHEMBL3932640 0.89 NUDT1 (0.42) NUDT1ACVR1JAK2NTRK1MAP4K1
SCHEMBL3932770 0.89 NUDT1 (0.40) NUDT1ACVR1JAK2NTRK1MAP4K1
SCHEMBL3927139 0.88 NUDT1 (0.53) NUDT1ACVR1USP30IGF1RJAK2

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 4271/4885ACVR1 1835/4885USP30 2950/4885

“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.