SCHEMBL3924580

SCHEMBL3924580

CC(=O)NC1CCN(c2nc(Nc3cc(OCC4CC4)n[nH]3)n3cccc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.40
CNR2 P34972 1/20 0.36
GUCY1B2 O75343 2/20 0.36
GUCY1A2 P33402 2/20 0.36
GUCY1A1 Q02108 2/20 0.36
GUCY1B1 Q02153 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
AXL P30530 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 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
SCHEMBL3935548 0.86 PAK4 (0.37) LRRK2
SCHEMBL3926065 0.83 PIK3CB (0.36) LRRK2CKS1BSKP1SKP2KDM4E
SCHEMBL3922266 0.82 ALDH1A1 (0.39) LRRK2CKS1BSKP1SKP2KDM4E
SCHEMBL3931418 0.81 SUV39H2 (0.34) LRRK2CKS1BSKP1SKP2KDM4E
SCHEMBL13841041 0.80 JAK2 (0.46)
SCHEMBL3926820 0.75 KDM5B (0.40) KDM4EPOLBMAPTTDP1STK3
SCHEMBL3928058 0.75 RBP4 (0.38) KDM4EPOLBRBP4TTRALDH1A1
SCHEMBL3933854 0.75 DKK1 (0.43) CKS1BSKP1SKP2AXLKDM4E
SCHEMBL3921414 0.73 CCNE1 (0.32) KDM4EPOLBMAPTTDP1
SCHEMBL3926786 0.73 CKS1B (0.39) CKS1BSKP1SKP2KDM4EPOLB

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 LRRK2 937/4885CNR2 1069/4885GUCY1B2 2556/4885

“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.