SCHEMBL244800

SCHEMBL244800

Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PDE4B Q07343 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
SCHEMBL244799 1.00 KMT2A (0.36) KMT2AMEN1KDM4ELMNANPSR1
SCHEMBL243263 0.86 KMT2A (0.38) KMT2AMEN1KDM4ELMNANPSR1
SCHEMBL243264 0.86 KMT2A (0.38) KMT2AMEN1KDM4ELMNANPSR1
SCHEMBL243262 0.86 KMT2A (0.38) KMT2AMEN1KDM4ELMNANPSR1
SCHEMBL245329 0.83 SYK (0.36) CYP3A4
SCHEMBL245330 0.83 SYK (0.36) CYP3A4
SCHEMBL15153967 0.83 GPR84 (0.40) HPGDMAPTCYP3A4ALDH1A1CRHR1
SCHEMBL1699489 0.83 GPR84 (0.40) HPGDMAPTCYP3A4ALDH1A1CRHR1
SCHEMBL15182547 0.82 CYP3A4 (0.40) KMT2AMEN1KDM4ELMNANPSR1
SCHEMBL243945 0.82 CYP3A4 (0.48) KMT2AMEN1LMNAGAAL3MBTL1

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 3691/4885KDM4E 2264/4885

“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.