SCHEMBL1684136

SCHEMBL1684136

CN(C)C1CCN(C(=O)c2cn(Cc3ccc(F)cc3)c3cnc(C(=O)NO)cc23)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
PDE5A O76074 1/20 0.42
MAP4K4 O95819 1/20 0.40
VNN1 O95497 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
GRM2 Q14416 1/20 0.38
PRKAA2 P54646 1/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
P2RY12 Q9H244 1/20 0.38
NTRK1 P04629 2/20 0.38

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
SCHEMBL1684248 0.91 HRH3 (0.44) HRH3PDE5AMAP4K4VNN1ALDH1A1
SCHEMBL1684252 0.84 KMT2A (0.42) PDE4APDE4BPDE4CPDE4DPRKAA2
SCHEMBL4165476 0.79 PRKAA2 (0.39) PDE4APDE4BPDE4CPDE4DPRKAA2
SCHEMBL4161112 0.77 RIPK1 (0.41) ALDH1A1
SCHEMBL4171581 0.76 GFER (0.39) ALDH1A1ALOX12NPSR1PDE4APDE4B
SCHEMBL13778808 0.75 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4158917 0.74 LMNA (0.40) ALDH1A1
SCHEMBL14542133 0.74 MMP13 (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL5255421 0.74 HDAC3 (0.46) GRM2PRKAA2
SCHEMBL5252763 0.73 CACNB4 (0.41) PRKAA2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO claimed
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP HRH3 4646/4885PDE5A 1518/4885MAP4K4 2385/4885

“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.