SCHEMBL245253

SCHEMBL245253

Cc1cc2nc(CN3CCCCC3)ccc2c(-c2ccc(Cl)cc2)c1[C@H](COC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MCHR1 Q99705 5/20 0.34
ENPP2 Q13822 5/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2C P28335 2/20 0.33
MLLT1 Q03111 1/20 0.33
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 2/20 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
SCHEMBL245597 1.00 PSIP1 (0.35) PSIP1KMT2AMEN1MCHR1ENPP2
SCHEMBL245596 1.00 PSIP1 (0.35) PSIP1KMT2AMEN1MCHR1ENPP2
SCHEMBL245953 0.88 MEN1 (0.36) PSIP1KMT2AMEN1MCHR1ENPP2
SCHEMBL241354 0.88 MEN1 (0.36) PSIP1KMT2AMEN1MCHR1ENPP2
SCHEMBL241649 0.85 PSIP1 (0.34) PSIP1KMT2AMCHR1CYP2C19CYP3A4
SCHEMBL241650 0.85 PSIP1 (0.34) PSIP1KMT2AMCHR1CYP2C19CYP3A4
SCHEMBL244623 0.85 PSIP1 (0.34) PSIP1KMT2ACYP2C19CYP3A4CYP1A2
SCHEMBL241651 0.85 PSIP1 (0.34) PSIP1KMT2AMCHR1CYP2C19CYP3A4
SCHEMBL244625 0.85 PSIP1 (0.34) PSIP1KMT2ACYP2C19CYP3A4CYP1A2
SCHEMBL244624 0.85 PSIP1 (0.34) PSIP1KMT2ACYP2C19CYP3A4CYP1A2

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 PSIP1 3417/4885KMT2A 1975/4885MEN1 3691/4885

“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.