SCHEMBL3921299

SCHEMBL3921299

Cc1cc(Nc2nc(N3CCCC3c3nccs3)nc3cccn23)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
PDE10A Q9Y233 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CCNE2 O96020 1/20 0.33
IGF1R P08069 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ACVR1 Q04771 1/20 0.32
ADAM17 P78536 2/20 0.31
SCN9A Q15858 3/20 0.31
DRD4 P21917 1/20 0.30
GRM5 P41594 1/20 0.30
ADORA2A P29274 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
SCHEMBL3937697 0.84 ACVR1 (0.41) ACVR1SCN9A
SCHEMBL3933859 0.84 NUDT1 (0.39) POLBMAPTPIK3C3KDM4EACVR1
SCHEMBL3922063 0.82 NUDT1 (0.45) ALDH1A1POLBKMT2AMAPTPIK3C3
SCHEMBL3926831 0.81 NUDT1 (0.36) ALDH1A1POLBMAPTPIK3C3KDM4E
SCHEMBL3931569 0.79 NUDT1 (0.41) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL1722967 0.73 JAK2 (0.42) ALDH1A1POLBKMT2AKDM4EIGF1R
SCHEMBL3931669 0.73 NAPEPLD (0.39) POLB
SCHEMBL3934541 0.72 NUDT1 (0.41) ALDH1A1MAPTPIK3C3ACVR1
SCHEMBL3922462 0.72 PAK4 (0.31) SCN9A
SCHEMBL3921001 0.72 ACVR1 (0.42) ALDH1A1MAPTPIK3C3IGF1RACVR1

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 ALDH1A1 3191/4885POLB 1949/4885MEN1 4348/4885

“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.