SCHEMBL13778809

SCHEMBL13778809

CN(O)C(=O)c1cc2c(C(=O)NCCN3CCOCC3)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
KCNH2 Q12809 1/20 0.46
PIK3CA P42336 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTR3A P46098 1/20 0.46
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
KDM5B Q9UGL1 1/20 0.42

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
SCHEMBL13778802 0.89 KCNH2 (0.49) CNR2KCNH2PIK3CAHPGDTSHR
SCHEMBL13778782 0.88 KCNH2 (0.46) CNR2KCNH2PIK3CAHPGDTSHR
SCHEMBL13778789 0.82 ALDH1A1 (0.45) HPGDTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL1684180 0.82 MEN1 (0.40)
SCHEMBL4170043 0.81 CHRM1 (0.50) HPGDTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL4160989 0.80 MEN1 (0.41) CNR2
SCHEMBL13778787 0.80 FSCN1 (0.39)
SCHEMBL4180431 0.79 MAPT (0.45) HPGDALDH1A1LMNA
SCHEMBL13778791 0.79 MMP13 (0.40) SMN1; SMN2LMNA
SCHEMBL4805325 0.78 CACNB4 (0.47) ALDH1A1

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 3 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 disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US 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 CNR2 4856/4885KCNH2 4089/4885PIK3CA 180/4885

“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.