SCHEMBL4962263

SCHEMBL4962263

CN(C(=O)c1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PRNP P04156 1/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ USP1 O94782 2/20 0.34
▸ P2RX3 P56373 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
SCHEMBL4963876 0.84 PDE1C (0.37) KDM4EMEN1KMT2APDE1APDE1B
SCHEMBL4964825 0.84 OPRM1 (0.38) MAPTPRNPCHRM1POLBALDH1A1
SCHEMBL4963524 0.83 POLB (0.47) MEN1KMT2AMAPTPRNPCHRM1
Methane SCHEMBL5438094 0.82 POLB (0.46) MEN1KMT2AMAPTPRNPCHRM1
SCHEMBL4964737 0.79 PARP1 (0.37) KDM4EMEN1KMT2APDE1APDE1B
SCHEMBL5431866 0.79 PDE1A (0.39) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL4964710 0.79 MEN1 (0.41) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL5428585 0.79 MEN1 (0.41) MEN1KMT2AMAPTMAPK1CHRM1
SCHEMBL5430713 0.79 PDE1C (0.37) KDM4EMEN1KMT2APDE1APDE1B
SCHEMBL4962932 0.78 POLB (0.37) KDM4EMEN1KMT2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP KDM4E 821/4885MEN1 4787/4885KMT2A 1367/4885

“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.

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