SCHEMBL5459685

SCHEMBL5459685

CC=Cc1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.71
PDGFRA P16234 3/20 0.71
RAB9A P51151 4/20 0.61
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MGAM O43451 1/20 0.43
ADORA2A P29274 1/20 0.43
HTR3A P46098 1/20 0.41
CYP2A6 P11509 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL12303913 1.00 PDGFRB (0.71) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL5459683 1.00 PDGFRB (0.71) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL7254720 0.85 PDGFRB (0.65) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL563573 0.83 PDGFRB (0.73) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL3164867 0.83 PDGFRB (1.00) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL3164863 0.83 PDGFRB (1.00) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL563572 0.83 PDGFRB (0.73) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL15850346 0.82 PDGFRB (0.67) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL2056162 0.82 PDGFRB (0.67) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL10162435 0.82 PDGFRB (0.67) PDGFRBPDGFRARAB9AKMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2007-11-08 US claimed
CN-102766089-A 3-(3-quinolyl)-2-propenyl-1-halide and its preparation method SHANGHAI INST PHARM INDUSTRY 2012-11-07 CN disclosed
US-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2007-11-08 US disclosed
WO-2006078450-A1 9A, 11-2C-BICYCLIC 9A-AZALIDE DERIVATIVES ENANTA PHARMACUETICALS, INC. (US) 2006-07-27 WO disclosed
US-6590083-B1 Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 US disclosed
EP-1272500-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2003-01-08 EP disclosed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP disclosed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 WO disclosed
WO-2000078773-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSTITUTED ERYTHROMYCIN DERIV ATIVES ABBOTT LABORATORIES (US) 2000-12-28 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-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES CYP3A7, CYP2C8, CYP51A1 PDGFRB 3510/4885PDGFRA 2748/4885RAB9A 473/4885

“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.