SCHEMBL245574

SCHEMBL245574

Cc1cc2nc(CN(C)c3ccccc3)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
DHFR P00374 1/20 0.34
PSIP1 O75475 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
DHODH Q02127 1/20 0.31
CYP3A4 P08684 1/20 0.31
LTB4R Q15722 2/20 0.30
CRHR1 P34998 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL245573 1.00 MCHR1 (0.37) MCHR1DHFRPSIP1ERAP1DHODH
SCHEMBL15186248 0.90 MCHR1 (0.36) MCHR1DHFR
SCHEMBL245498 0.89 CRHR1 (0.33) MCHR1PSIP1CYP3A4CRHR1
SCHEMBL245497 0.89 CRHR1 (0.33) MCHR1PSIP1CYP3A4CRHR1
SCHEMBL241637 0.88 MCHR1 (0.36) MCHR1DHFRPSIP1DHODHCYP3A4
SCHEMBL241636 0.88 MCHR1 (0.36) MCHR1DHFRPSIP1DHODHCYP3A4
SCHEMBL241635 0.88 MCHR1 (0.36) MCHR1DHFRPSIP1DHODHCYP3A4
SCHEMBL15182608 0.87 MCHR1 (0.37) MCHR1DHFRPSIP1DHODHCYP3A4
SCHEMBL244061 0.87 PSIP1 (0.43) MCHR1DHFRPSIP1DHODHCYP3A4
SCHEMBL244600 0.87 PSIP1 (0.43) MCHR1DHFRPSIP1DHODHCYP3A4

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 6 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
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN 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 MCHR1 2464/4885DHFR 647/4885PSIP1 3417/4885

“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.