SCHEMBL17029008

SCHEMBL17029008

Cc1cn2cc(-c3cccc(Cl)c3)nc2c(Br)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.43
PIN1 Q13526 1/20 0.41
MDM2 Q00987 3/20 0.41
MAPK13 O15264 1/20 0.41
DYRK3 O43781 1/20 0.41
MAP4K4 O95819 1/20 0.41
FYN P06241 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
BLK P51451 1/20 0.41
CSNK2A1 P68400 1/20 0.41
STK3 Q13188 1/20 0.41
CAMK2B Q13554 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM3 Q86V86 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41

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
SCHEMBL18364981 0.88 KMO (0.44) KMOPIN1NPC1RAB9ATMIGD3
SCHEMBL17029016 0.88 KDM4E (0.45) CSNK2A1NPC1RAB9ATMIGD3SMN1; SMN2
SCHEMBL17029010 0.88 NPC1 (0.41) MAPK13DYRK3MAP4K4FYNPIM1
SCHEMBL17029013 0.87 F2RL3 (0.40) MAPK13DYRK3MAP4K4FYNPIM1
SCHEMBL17029007 0.85 XPO1 (0.42) MAPK13DYRK3MAP4K4FYNPIM1
SCHEMBL17029036 0.83 SMN1; SMN2 (0.39) KMOPIN1MDM2MAPK13DYRK3
SCHEMBL20344794 0.79 KDM4E (0.42) NPC1RAB9ATMIGD3SMN1; SMN2KDM4E
SCHEMBL17039247 0.79 KDM4E (0.40) MAPK13DYRK3MAP4K4FYNPIM1
SCHEMBL17029026 0.78 SMN1; SMN2 (0.39) MAPK13DYRK3MAP4K4FYNPIM1
SCHEMBL17029024 0.78 SMN1; SMN2 (0.39) MAPK13DYRK3MAP4K4FYNPIM1

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 11 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
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-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
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 KMO 2754/4885PIN1 2765/4885MDM2 3373/4885

“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.