SCHEMBL2948595

SCHEMBL2948595

CONC(=O)c1cc2ncn(CCC3CCCCC3)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
ALDH1A1 P00352 5/20 0.42
TP53 P04637 2/20 0.42
NAMPT P43490 1/20 0.41
PLK1 P53350 2/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
ADRA2A P08913 1/20 0.37
POLB P06746 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4807417 0.87 LMNA (0.50) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2945339 0.86 LMNA (0.51) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2947215 0.85 TSHR (0.42) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2950577 0.83 HTT (0.53) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2943259 0.80 KMT2A (0.38) LMNATSHRALDH1A1TP53HPGD
SCHEMBL18686834 0.74 LNPEP (0.52) LMNATSHRHTTNPSR1LNPEP
SCHEMBL2951434 0.73 MMP13 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL4930847 0.70 CTSS (0.40) LNPEPPLK1PDE4APDE4BPDE4C
SCHEMBL1684135 0.70 PPARG (0.43) ALDH1A1SMN1; SMN2BRAF
SCHEMBL4930834 0.70 PLK1 (0.40) LMNATSHRHTTNPSR1LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP claimed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US claimed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US claimed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US claimed
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 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 (3 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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB LMNA 1696/4885TSHR 4810/4885HTT 1691/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB LMNA 1527/4885TSHR 4808/4885HTT 1768/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB LMNA 1532/4885TSHR 4830/4885HTT 1490/4885

“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.