SCHEMBL4050635

SCHEMBL4050635

N#Cc1cccc(-c2nc3ccc(-c4ccccc4F)cc3o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 5/20 0.58
GPR119 Q8TDV5 3/20 0.52
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
USP30 Q70CQ3 1/20 0.44
MGLL Q99685 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ADRA2C P18825 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HSPD1 P10809 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 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
SCHEMBL4054585 0.85 GPR119 (0.50) VSIRGPR119USP30MGLLPDCD1
SCHEMBL4054275 0.84 VSIR (0.63) VSIRGPR119HDAC3HDAC1HDAC8
SCHEMBL4054476 0.84 VSIR (0.61) VSIRGPR119HDAC3HDAC1HDAC8
SCHEMBL4054584 0.82 NPC1 (0.61) VSIRGPR119HDAC3HDAC1HDAC8
SCHEMBL4058059 0.82 VSIR (0.61) VSIRGPR119HDAC3HDAC1HDAC8
SCHEMBL4052730 0.80 VSIR (0.59) VSIRGPR119MGLLHDAC3HDAC1
SCHEMBL28265558 0.80 ALDH1A1 (0.51) GPR119MGLLHSPD1PTPN2PTPN1
SCHEMBL13859179 0.79 GABRG2 (0.62) GABRG2GABRB3GABRA5GABRA3ADRA2C
SCHEMBL28687718 0.79 GPR119 (0.48) VSIRGPR119USP30MGLLHSPD1
SCHEMBL4060165 0.79 VSIR (0.58) VSIRGPR119HDAC6HSPD1PTPN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B VSIR 4618/4885GPR119 1677/4885GABRG2 3462/4885

“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.