SCHEMBL15475992

SCHEMBL15475992

COC(=O)Cc1c(C)nc2cc(-c3cccc(Br)c3)nn2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HCRTR1 O43613 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 11/20 0.46
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL470323 0.89 MAPT (0.52) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL15475660 0.89 NPC1 (0.52) NPC1RAB9AHCRTR1CASP3SENP8
SCHEMBL15475631 0.89 NPC1 (0.52) NPC1RAB9AHCRTR1CASP3SENP8
SCHEMBL457202 0.88 DPP4 (0.52) SMN1; SMN2KDM4EPOLBALDH1A1HPGD
SCHEMBL16271158 0.84 NPC1 (0.47) NPC1RAB9AHCRTR1CASP3SENP8
SCHEMBL15226771 0.82 MAPT (0.48) SMN1; SMN2KDM4EPOLBALDH1A1HPGD
SCHEMBL470433 0.81 KDM4E (0.41) SMN1; SMN2KDM4EPOLBALDH1A1HPGD
SCHEMBL459528 0.80 MAPT (0.46) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL15475806 0.80 MAPT (0.56) NPC1RAB9AHCRTR1CASP3SENP8
SCHEMBL8570609 0.80 MAPT (0.62) NPC1RAB9ASMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125148-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-11-13 US disclosed
US-9932356-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-04-03 US disclosed
US-9932356-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-04-03 US disclosed
US-9932356-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-04-03 US disclosed
US-9834566-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-12-05 US disclosed
US-9834566-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-12-05 US disclosed
US-9834566-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-12-05 US disclosed
EP-3152211-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2017-04-12 EP disclosed
EP-3152215-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2017-04-12 EP disclosed
US-20170057977-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-03-02 US disclosed
WO-2015123182-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-20 WO disclosed
EP-2888266-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2015-07-01 EP disclosed
US-8906929-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-8906929-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-8906929-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-02-20 US disclosed
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-02-20 US disclosed
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-02-20 US disclosed
WO-2014028384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-20 WO disclosed
WO-2014028384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-20 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-10125148-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication TYMP, EIF2AK2, MAVS NPC1 632/4885RAB9A 2398/4885HCRTR1 4631/4885
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS NPC1 434/4885RAB9A 1173/4885HCRTR1 4195/4885
US-20170057977-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TK1, TYMS NPC1 1106/4885RAB9A 3110/4885HCRTR1 4809/4885

“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.