SCHEMBL17029013

SCHEMBL17029013

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.40
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK13 O15264 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL17029010 0.91 NPC1 (0.41) F2RL3KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17029007 0.90 XPO1 (0.42) F2RL3KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17029008 0.87 KMO (0.43) F2RL3KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17039247 0.82 KDM4E (0.40) F2RL3KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17029026 0.81 SMN1; SMN2 (0.39) F2RL3KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17029024 0.81 SMN1; SMN2 (0.39) F2RL3KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17029009 0.80 NPC1 (0.43) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18364982 0.80 RAB9A (0.45) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17029025 0.79 KDM4E (0.41) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17039242 0.77 CNR2 (0.38) F2RL3KDM4ESMN1; SMN2NPC1RAB9A

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 7 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-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 F2RL3 4282/4885KDM4E 2143/4885SMN1; SMN2 2947/4885

“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.