SCHEMBL17029007

SCHEMBL17029007

CCOC(=O)C(=O)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.37
DYRK3 O43781 2/20 0.37

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
SCHEMBL18364983 0.90 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17029025 0.90 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL17029013 0.90 F2RL3 (0.40) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL17029008 0.85 KMO (0.43) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL17029010 0.85 NPC1 (0.41) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL17039247 0.78 KDM4E (0.40) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL17029026 0.77 SMN1; SMN2 (0.39) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL17029024 0.77 SMN1; SMN2 (0.39) KDM4ENPC1RAB9AALDH1A1KMT2A
SCHEMBL17029033 0.76 NR1I2 (0.39) XPO1GABRA2GABRB2KDM4ENPC1
SCHEMBL17029036 0.76 SMN1; SMN2 (0.39) KDM4ENPC1RAB9AALDH1A1KMT2A

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 XPO1 1034/4885GABRA2 4469/4885GABRB2 4448/4885

“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.