SCHEMBL245962

SCHEMBL245962

C=Cc1c(C)cc2nc(C(F)(F)F)ccc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.35
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL244576 0.81 POLB (0.37)
SCHEMBL11985972 0.81 NT5E (0.40) NT5EADORA2AADORA1
SCHEMBL27910450 0.79 NT5E (0.36) NT5E
SCHEMBL245401 0.78 NT5E (0.38) NT5EADORA2AADORA1
SCHEMBL245603 0.76 PDE4B (0.39) NT5E
SCHEMBL254910 0.74 NPC1 (0.34) NT5EADORA2AADORA1
SCHEMBL3294109 0.73 PTGS1 (0.35) NT5E
SCHEMBL11985957 0.72 NT5E (0.36) NT5EADORA2AADORA1
SCHEMBL242075 0.71 BRD4 (0.40)
SCHEMBL11985965 0.69 NT5E (0.43) NT5E

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 10 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-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
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
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 NT5E 1854/4885ADORA2A 1221/4885ADORA1 309/4885

“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.