SCHEMBL3890871

SCHEMBL3890871

CC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.38
MAOB P27338 5/20 0.37
MAOA P21397 2/20 0.37
EGLN1 Q9GZT9 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRM2 Q14416 1/20 0.36
PARP1 P09874 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
KMT2A Q03164 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
SCHEMBL3898382 0.89 GRIN2B (0.38) EGLN2MAOBMAOAEGLN1GRIN2B
SCHEMBL3891640 0.89 EGLN2 (0.38) EGLN2EGLN1GRIN2BKMT2A
SCHEMBL3899093 0.88 GRM2 (0.40) GRM2PARP1
SCHEMBL1593434 0.87 GRM2 (0.38) EGLN2EGLN1GRM2
SCHEMBL3901658 0.87 GRIN2B (0.39) EGLN2EGLN1GRIN2BGRM2XIAP
SCHEMBL3896068 0.86 EGLN2 (0.41) EGLN2MAOBMAOAEGLN1
SCHEMBL3967398 0.85 MAOB (0.42) MAOBKMT2A
SCHEMBL3895015 0.84 EGLN2 (0.40) EGLN2MAOAEGLN1GRIN2B
SCHEMBL4294289 0.84 EGLN2 (0.40) EGLN2MAOAEGLN1GRM2
SCHEMBL13850960 0.84 LTA4H (0.35) EGLN2EGLN1GRM2

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 12 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
EP-1541558-B1 HETEROCYCLIC COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2008-08-13 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 EGLN2 3504/4885MAOB 741/4885MAOA 1268/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 EGLN2 3496/4885MAOB 758/4885MAOA 1285/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 EGLN2 3504/4885MAOB 741/4885MAOA 1268/4885

“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.