SCHEMBL459359

SCHEMBL459359

COC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.52
POLB P06746 2/20 0.51
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
THRB P10828 2/20 0.48
TP53 P04637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
DPP4 P27487 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL461080 0.91 DPP4 (0.52) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL15475631 0.90 NPC1 (0.52) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL15226785 0.88 MAPT (0.47) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL470323 0.87 MAPT (0.52) MAPTPOLBGAASMN1; SMN2THRB
SCHEMBL16271158 0.85 NPC1 (0.47) MAPTPOLBGAASMN1; SMN2TP53
SCHEMBL2045496 0.84 DPP4 (0.52) MAPTPOLBGAASMN1; SMN2TP53
SCHEMBL462711 0.84 MAPT (0.46) MAPTPOLBGAASMN1; SMN2THRB
SCHEMBL461816 0.82 KDM4E (0.40) MAPTPOLBGAASMN1; SMN2TP53
SCHEMBL457202 0.82 DPP4 (0.52) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL470412 0.81 MAPT (0.40) MAPTPOLBGAASMN1; SMN2TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822949-B9 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-25 EP disclosed
EP-2822949-B9 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-25 EP disclosed
EP-2822949-B1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL MYERS SQUIBB CO (US) 2016-09-07 EP disclosed
EP-2822949-B1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL MYERS SQUIBB CO (US) 2016-09-07 EP disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
EP-2822949-A1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2015-01-14 EP disclosed
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-05 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 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 (3 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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPT 3089/4885POLB 134/4885GAA 30/4885
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS MAPT 2620/4885POLB 22/4885GAA 266/4885
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS MAPT 2620/4885POLB 22/4885GAA 266/4885

“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.