SCHEMBL5226578

SCHEMBL5226578

COc1cccc(C(=O)Nc2ccccc2)c1F

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.66
KCNK9 Q9NPC2 6/20 0.66
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 2/20 0.61
KAT6A Q92794 1/20 0.60
RAB9A P51151 2/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
POLB P06746 1/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL22820182 0.89 KMT2A (0.66) KCNK3KCNK9KMT2AKDM4ERAB9A
SCHEMBL8126849 0.87 JAK2 (0.73) KCNK3KCNK9KMT2ARAB9AMAPT
SCHEMBL2362772 0.85 KMT2A (0.82) KCNK3KCNK9KMT2AKDM4ERAB9A
SCHEMBL22820076 0.84 RAB9A (0.67) KCNK9KMT2AKDM4ERAB9AMAPT
SCHEMBL5229927 0.83 KCNK3 (0.68) KCNK3KCNK9KMT2AKDM4ERAB9A
SCHEMBL22820037 0.83 HPGD (0.54) KCNK3KCNK9KMT2AKDM4ERAB9A
SCHEMBL27739490 0.83 RAB9A (0.76) KCNK3KCNK9KMT2AKDM4ERAB9A
SCHEMBL22819980 0.82 KMT2A (0.62) KCNK3KCNK9KMT2AKDM4ERAB9A
SCHEMBL28289265 0.82 KCNK3 (0.66) KCNK3KCNK9KMT2AKDM4ERAB9A
SCHEMBL30739719 0.81 MAPT (0.71) KCNK3KCNK9KMT2AKDM4ERAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 EP disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020077338-A1 HIV protease inhibitors DRESSMAN BRUCE A (US) 2002-06-20 US disclosed
US-6271235-B1 VIRICIDE AGOURON PHARMACEUTICALS, INC. 2001-08-07 US disclosed
US-6162812-A Pharmaceutical compositions containing HIV protease inhibitors and methods of their use AGOURON PHARMACEUTICALS, INC. (US) 2000-12-19 US disclosed
US-5952343-A VIRICIDES; SPECIFICITY; NONTOXIC AGOURON PHARMACEUTICALS, INC. 1999-09-14 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827858-A ADMINISTERED TO TREAT AIDS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 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-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 KCNK3 4593/4885KCNK9 4077/4885KMT2A 2618/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP KCNK3 4468/4885KCNK9 3988/4885KMT2A 3599/4885

“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.