SCHEMBL4872097

SCHEMBL4872097

[O]C/C=C/c1cnc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.67
PDGFRA P16234 3/20 0.67
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
MGAM O43451 1/20 0.45
ADORA2A P29274 1/20 0.41
CFTR P13569 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDR P35968 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL7117727 1.00 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL563572 0.84 PDGFRB (0.73) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL563573 0.84 PDGFRB (0.73) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL372028 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL6850815 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL372262 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL3906668 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL10162435 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL3906662 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A
SCHEMBL2056162 0.83 PDGFRB (0.67) PDGFRBPDGFRARAB9AKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984975-B1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-04-23 EP claimed
JP-2002500669-A 2002-01-08 JP claimed
EP-0984975-A1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2000-03-15 EP claimed
US-5922683-A ANTIBIOTICS TREATING BACTERIAL INFECTION ABBOTT LABORATORIES (US) 1999-07-13 US claimed
WO-1998054197-A1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-12-03 WO claimed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
EP-0984975-B1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-04-23 EP disclosed
EP-0984975-A1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2000-03-15 EP disclosed
US-5922683-A ANTIBIOTICS TREATING BACTERIAL INFECTION ABBOTT LABORATORIES (US) 1999-07-13 US disclosed
WO-1998054197-A1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-12-03 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD PDGFRB 2398/4885PDGFRA 2996/4885RAB9A 1736/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL PDGFRB 4681/4885PDGFRA 4701/4885RAB9A 1155/4885

“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.