SCHEMBL5877790

SCHEMBL5877790

[c]1sc2ccccc2c1-c1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
MIF P14174 1/20 0.33
GABRA1 P14867 1/20 0.33
CYP19A1 P11511 2/20 0.32
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
EPAS1 Q99814 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21295673 0.81 KDM4E (0.45) MIFGABRA1BRD4KDM4EMAPT
SCHEMBL21295742 0.76 NOTUM (0.40) GPR3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL14782179 0.75 PDPK1 (0.46) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL3667276 0.74 MAPT (0.42) KDM4EMAPTALDH1A1HSD17B10NPC1
SCHEMBL2956882 0.74 GPR3 (0.37) GPR3ALDH1A1EPAS1
SCHEMBL21295855 0.72 CYP2A6 (0.45) CYP19A1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL5744633 0.68 RAB9A (0.47) KDM4EMAPTALDH1A1HSD17B10NPC1
SCHEMBL2966653 0.68 KDM4E (0.35) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL1013581 0.68 KDM4E (0.39) KDM4EMAPTALDH1A1HSD17B10NPC1
SCHEMBL5758421 0.67 KDM4E (0.31) KDM4EMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858764-B Pyrimidinyl indole compounds HUTCHISON MEDIPHARMA SHANGHAI LTD 2014-08-20 CN disclosed
CN-102858764-A Pyrimidinyl indole compounds HUTCHISON MEDIPHARMA SHANGHAI LTD 2013-01-02 CN disclosed
CN-101309918-B [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases LILLY CO ELI 2010-12-29 CN disclosed
CN-101309918-A [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases LILLY CO ELI (US) 2008-11-19 CN disclosed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
EP-1395550-B1 CYCLOALKENYLSULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2005-06-29 EP disclosed
US-6911476-B2 Sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-06-28 US disclosed
US-6900353-B2 Cyclopentyl sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006539-A1 ALKENYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006149-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006083-A2 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 GPR3 44/4885MIF 4773/4885GABRA1 50/4885

“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.