SCHEMBL245247

SCHEMBL245247

COc1c(C)cc2cccnc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.51
CCR8 P51685 5/20 0.51
NSD2 O96028 1/20 0.43
CASP6 P55212 1/20 0.43
CCR5 P51681 3/20 0.42
PSMD14 O00487 1/20 0.42
COPS5 Q92905 1/20 0.42
LMNA P02545 5/20 0.41
CYP1A2 P05177 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL16622655 0.81 CCR1 (0.51) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL12932576 0.80 CCR1 (0.58) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL15703117 0.74 MEN1 (0.50) CCR1CCR8NSD2CASP6CCR5
SCHEMBL242232 0.74 SYK (0.51) CCR1CCR8NSD2CASP6PDGFRB
SCHEMBL243387 0.74 KDM4E (0.45) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL14768504 0.73 LMNA (0.59) CCR1CCR8CCR5LMNACYP1A2
SCHEMBL6609520 0.73 KDM4E (0.45) CYP1A2KDM4EHPGDMAPTNPSR1
SCHEMBL3977326 0.72 LMNA (0.63) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL4539236 0.71 LMNA (0.52) CCR1CCR8CCR5LMNACYP1A2
SCHEMBL29828916 0.71 CYP1A2 (0.52) CCR1CCR8LMNACYP1A2KDM4E

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 28 patents — showing the first 20. 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
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
US-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 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-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 WO disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 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 (4 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-20110014121-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 CCR1 19/4885CCR8 16/4885NSD2 2999/4885
US-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 CCR1 19/4885CCR8 16/4885NSD2 2999/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 CCR1 19/4885CCR8 16/4885NSD2 2999/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 CCR1 1019/4885CCR8 1874/4885NSD2 2702/4885

“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.