SCHEMBL243387

SCHEMBL243387

COc1c(C)cc2cccnc2c1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CCR1 P32246 3/20 0.44
CCR8 P51685 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC40A1 Q9NP59 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL245541 0.81 CCR1 (0.46) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL241481 0.80 PDE4A (0.52) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL241506 0.77 CCR1 (0.43) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL30008054 0.75 KMT2A (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL7450182 0.74 CCR1 (0.55) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL245247 0.74 CCR1 (0.51) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL16622655 0.74 CCR1 (0.51) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL3297997 0.74 CCR1 (0.40) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL246921 0.74 CCR1 (0.40) KDM4ENPSR1LMNAHPGDMAPT
SCHEMBL15186275 0.73 KDM4E (0.36) KDM4ENPSR1LMNAHPGDMAPT

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
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
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-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US 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
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 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
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 KDM4E 2264/4885NPSR1 3560/4885LMNA 3491/4885

“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.