SCHEMBL458714

SCHEMBL458714

Cc1nc2cc(-c3ccc4c(c3)CCCC4)nn2c(Cl)c1C(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NR1I2 O75469 1/20 0.36
PSIP1 O75475 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL462710 0.90 ALDH1A1 (0.40) KDM4EALDH1A1HTTL3MBTL1MAPK1
SCHEMBL461275 0.89 NPC1 (0.40) KDM4EALDH1A1HTTL3MBTL1MAPK1
SCHEMBL461782 0.89 NPC1 (0.40) KDM4EALDH1A1HTTL3MBTL1MAPK1
SCHEMBL462539 0.85 PSIP1 (0.51) KDM4EALDH1A1HTTL3MBTL1MAPK1
SCHEMBL12078786 0.81 DPP4 (0.47) KDM4EALDH1A1HTTMAPK1NPC1
SCHEMBL461199 0.80 PSIP1 (0.42) KDM4EALDH1A1HTTL3MBTL1MAPK1
SCHEMBL461198 0.80 PSIP1 (0.42) KDM4EALDH1A1HTTL3MBTL1MAPK1
SCHEMBL15476655 0.80 NPC1 (0.54) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL461744 0.78 ALDH1A1 (0.40) KDM4EALDH1A1HTTL3MBTL1MAPK1
SCHEMBL458941 0.77 NR1I2 (0.55) KDM4EALDH1A1HTTL3MBTL1NPC1

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 10 patents. 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-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
EP-2822949-A1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2015-01-14 EP disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
WO-2013134113-A1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-12 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS KDM4E 2143/4885ALDH1A1 3327/4885HTT 4035/4885
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS KDM4E 2143/4885ALDH1A1 3327/4885HTT 4035/4885

“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.