SCHEMBL17029005

SCHEMBL17029005

Cc1cn2cc(-c3cccc(Cl)c3)nc2c(-c2cc(F)c3c(c2C)CCCO3)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
FABP3 P05413 3/20 0.34
FABP4 P15090 3/20 0.34
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
AVPR1B P47901 1/20 0.32
MDM2 Q00987 1/20 0.32
PTGER4 P35408 1/20 0.32
FTO Q9C0B1 1/20 0.32
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT3 P40763 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
SCHEMBL20344833 0.94 NR1I2 (0.41) NR1I2PDCD1CD274AVPR1BCNR2
SCHEMBL17029006 0.92 NR1I2 (0.41) NR1I2PDCD1CD274AVPR1BCNR2
SCHEMBL20033899 0.90 NR1I2 (0.40) NR1I2KDM4EALDH1A1HPGDPDE4B
SCHEMBL17029033 0.89 NR1I2 (0.39) NR1I2PDCD1CD274AVPR1BKDM4E
SCHEMBL17029021 0.88 NR1I2 (0.45) NR1I2PDCD1CD274AVPR1B
SCHEMBL20344789 0.86 NR1I2 (0.37) NR1I2PDCD1CD274AVPR1BKDM4E
SCHEMBL17029032 0.85 NR1I2 (0.57) NR1I2CYP3A4
SCHEMBL17039259 0.85 NR1I2 (0.39) NR1I2PDCD1CD274AVPR1BKDM4E
SCHEMBL17039244 0.84 NR1I2 (0.42) NR1I2PDCD1CD274AVPR1BKDM4E
SCHEMBL20344788 0.84 NR1I2 (0.42) NR1I2PDCD1CD274AVPR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed
US-9938271-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-10 US disclosed
US-9938271-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-10 US disclosed
US-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US disclosed
US-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US disclosed
EP-3107913-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
WO-2015126765-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126765-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 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-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS NR1I2 3085/4885FABP3 4567/4885FABP4 4663/4885

“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.