SCHEMBL12533697

SCHEMBL12533697

Cc1c(Br)ccc2c1NCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7657136 0.89 HTR2A (0.38) HTR2AHTR2CHTR2BMAPTALDH1A1
SCHEMBL30664964 0.89 HTR2A (0.38) HTR2AHTR2CHTR2BMAPTALDH1A1
SCHEMBL10913809 0.81 SRC (0.38) SRCCA12CA1CA2CA9
SCHEMBL3744568 0.81 SRC (0.38) SRCKDM4EMAPTALDH1A1LMNA
SCHEMBL20904510 0.78 SRC (0.36) SRCCA12CA1CA2CA9
SCHEMBL9510659 0.78 PNMT (0.42) SRCHTR2AHTR2CHTR2BKDM4E
SCHEMBL10909715 0.78 SRC (0.36) SRCHTR2AHTR2CHTR2BKDM4E
SCHEMBL19511770 0.77 SRC (0.46) SRCCA12CA1CA2CA9
SCHEMBL12533360 0.75 SRC (0.35) SRC
SCHEMBL15800555 0.75 SRC (0.35) SRC

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
EP-2757096-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-07-23 EP disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 EP disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 US disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 US disclosed
EP-2220095-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2013-01-02 EP disclosed
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 US disclosed
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E SRC 2916/4885CA12 4883/4885CA1 4877/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E SRC 2916/4885CA12 4883/4885CA1 4877/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E SRC 747/4885CA12 4852/4885CA1 4820/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E SRC 2916/4885CA12 4883/4885CA1 4877/4885

“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.