SCHEMBL243263

SCHEMBL243263

Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@H](COC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
KDR P35968 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL243262 1.00 KMT2A (0.38) KMT2AMEN1RAB9AL3MBTL1NPC1
SCHEMBL243264 1.00 KMT2A (0.38) KMT2AMEN1RAB9AL3MBTL1NPC1
SCHEMBL245533 0.88 RAB9A (0.38) KMT2AMEN1RAB9AL3MBTL1NPC1
SCHEMBL245532 0.88 RAB9A (0.38) KMT2AMEN1RAB9AL3MBTL1NPC1
SCHEMBL245534 0.88 RAB9A (0.38) KMT2AMEN1RAB9AL3MBTL1NPC1
SCHEMBL244799 0.86 KMT2A (0.36) KMT2AMEN1RAB9AL3MBTL1NPC1
SCHEMBL244800 0.86 KMT2A (0.36) KMT2AMEN1RAB9AL3MBTL1NPC1
SCHEMBL245642 0.85 CYP3A4 (0.35) RAB9AL3MBTL1NPC1TDP1CYP3A4
SCHEMBL245640 0.85 CYP3A4 (0.35) RAB9AL3MBTL1NPC1TDP1CYP3A4
SCHEMBL245641 0.85 CYP3A4 (0.35) RAB9AL3MBTL1NPC1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 KMT2A 1975/4885MEN1 3691/4885RAB9A 154/4885

“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.