SCHEMBL3932218

SCHEMBL3932218

NCC1CCN(c2nc(Nc3cc(C4CC4)n[nH]3)n3cccc3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 1/20 0.36
AKT2 P31751 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
KHK P50053 2/20 0.32
PAK4 O96013 6/20 0.32
PAK1 Q13153 5/20 0.32
PIM1 P11309 3/20 0.31
GSK3B P49841 1/20 0.31
PIK3CB P42338 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL3923615 0.89 PAK1 (0.40) DKK1PAK4PAK1PIM1
SCHEMBL916719 0.86 POLB (0.36) PAK4
SCHEMBL3933854 0.85 DKK1 (0.43) DKK1GSK3B
SCHEMBL3924852 0.82 SUV39H2 (0.37) CCNE1CDK2PIK3CBSUV39H2
SCHEMBL3928070 0.82 ROCK2 (0.37) PAK4PAK1DRD2DRD4DRD3
SCHEMBL3923740 0.82 SMO (0.40) SUV39H2
SCHEMBL3926065 0.82 PIK3CB (0.36) CCNE1CDK2PIK3CBSUV39H2
SCHEMBL3926820 0.80 KDM5B (0.40) AKT2CDK2PAK4PIM1GSK3B
SCHEMBL3926786 0.80 CKS1B (0.39) CCNE1CDK2
SCHEMBL3921414 0.80 CCNE1 (0.32) CCNE1CDK2PAK1SUV39H2DRD2

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 DKK1 1318/4885AKT2 1188/4885CCNE2 1298/4885

“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.