SCHEMBL3901658

SCHEMBL3901658

CN(C)C(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.39
EGLN1 Q9GZT9 3/20 0.36
EGLN2 Q96KS0 3/20 0.36
HTR2C P28335 3/20 0.35
MCHR1 Q99705 3/20 0.35
LTA4H P09960 1/20 0.34
GRM2 Q14416 1/20 0.34
PDK1 Q15118 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL3890871 0.87 EGLN2 (0.38) GRIN2BEGLN1EGLN2GRM2XIAP
SCHEMBL3898382 0.86 GRIN2B (0.38) GRIN2BEGLN1EGLN2HTR2CMCHR1
SCHEMBL3891640 0.85 EGLN2 (0.38) GRIN2BEGLN1EGLN2
SCHEMBL3895015 0.85 EGLN2 (0.40) GRIN2BEGLN1EGLN2HTR2CMCHR1
SCHEMBL3899093 0.84 GRM2 (0.40) GRM2FYN
SCHEMBL1593434 0.84 GRM2 (0.38) EGLN1EGLN2GRM2HSP90AA1
SCHEMBL3896068 0.83 EGLN2 (0.41) EGLN1EGLN2HTR2CMCHR1
SCHEMBL13850983 0.82 EGLN2 (0.44) EGLN1EGLN2HTR2CMCHR1
SCHEMBL3967398 0.82 MAOB (0.42)
SCHEMBL13850952 0.81 KMT2A (0.42) EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 US disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 GRIN2B 2102/4885EGLN1 3314/4885EGLN2 3504/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 GRIN2B 2131/4885EGLN1 3279/4885EGLN2 3496/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 GRIN2B 2102/4885EGLN1 3314/4885EGLN2 3504/4885

“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.