SCHEMBL470322

SCHEMBL470322

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2c(C)c(-c3cccc(Cl)c3)nn2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
DYRK3 O43781 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
XPO1 O14980 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL461920 0.90 CYP3A4 (0.44) TP53CYP3A4
SCHEMBL10175062 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DDYRK3
SCHEMBL461161 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DDYRK3
SCHEMBL10175470 0.82 CYP3A4 (0.39) ADORA3ALDH1A1MEN1KMT2AMAPT
SCHEMBL463413 0.79 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL10174693 0.79 NR1I2 (0.61) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL461591 0.78 GRM5 (0.37) PDE4APDE4CPDE4DKMT2ANPSR1
SCHEMBL460739 0.78 KDM4E (0.51) TRPM8ADORA3ALDH1A1MEN1KMT2A
SCHEMBL461469 0.78 XPO1 (0.46) PDE4APDE4BPDE4CPDE4DDYRK3
SCHEMBL17039593 0.76 NPC1 (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1

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
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS PDE4A 1643/4885PDE4B 1607/4885PDE4C 1103/4885

“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.